ChemicalBook > CAS DataBase List > Trabectedin

Trabectedin

Product Name
Trabectedin
CAS No.
114899-77-3
Chemical Name
Trabectedin
Synonyms
Trabectedin;ET-743;Yondelis;Ecteinascidin;NSC 648766;NSC-684766;ASMF Filed;cteinascidin;ecteinascidin 743;Trabectedin, >95%
CBNumber
CB31364731
Molecular Formula
C39H43N3O11S
Formula Weight
761.84
MOL File
114899-77-3.mol
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Trabectedin Property

Melting point:
>143°C (dec.)
alpha 
D25 +114° (c = 0.1 in methanol)
Density 
1.55±0.1 g/cm3 (20 ºC 760 Torr)
storage temp. 
-20°C Freezer, Under inert atmosphere
solubility 
Chloroform (Slightly), Methanol (Slightly)
pka
9.73±0.40(Predicted)
form 
Solid
color 
Light Yellow to Yellow
optical activity
-53.824.5 (CHCl3)
InChI
InChI=1/C39H43N3O11S/c1-16-9-20-10-22-37(46)42-23-13-50-38(47)39(21-12-25(48-5)24(44)11-19(21)7-8-40-39)14-54-36(30(42)29(41(22)4)26(20)31(45)32(16)49-6)28-27(23)35-34(51-15-52-35)17(2)33(28)53-18(3)43/h9,11-12,22-23,29-30,36-37,40,44-46H,7-8,10,13-15H2,1-6H3/t22-,23-,29+,30+,36+,37-,39+/s3
InChIKey
PKVRCIRHQMSYJX-HAHYLZASNA-N
SMILES
[C@H]12[C@@H]3N([C@@H](CC4=CC(C)=C(OC)C(O)=C34)[C@H](O)N1[C@@H]1C3=C4OCOC4=C(C)C(OC(=O)C)=C3[C@@]2([H])SC[C@]2(NCCC3C=C(O)C(OC)=CC2=3)C(=O)OC1)C |&1:0,1,3,15,18,33,37,r|
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Danger
Hazard statements

H300Fatal if swallowed

H312Harmful in contact with skin

H332Harmful if inhaled

H341Suspected of causing genetic defects

H361Suspected of damaging fertility or the unborn child

H373May cause damage to organs through prolonged or repeated exposure

Precautionary statements

P201Obtain special instructions before use.

P202Do not handle until all safety precautions have been read and understood.

P260Do not breathe dust/fume/gas/mist/vapours/spray.

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P270Do not eat, drink or smoke when using this product.

P271Use only outdoors or in a well-ventilated area.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P281Use personal protective equipment as required.

P301+P310IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.

P302+P352IF ON SKIN: wash with plenty of soap and water.

P304+P340IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.

P308+P313IF exposed or concerned: Get medical advice/attention.

P312Call a POISON CENTER or doctor/physician if you feel unwell.

P314Get medical advice/attention if you feel unwell.

P321Specific treatment (see … on this label).

P322Specific measures (see …on this label).

P330Rinse mouth.

P363Wash contaminated clothing before reuse.

P405Store locked up.

P501Dispose of contents/container to..…

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N-Bromosuccinimide Price

TRC
Product number
T703500
Product name
Trabectedin
Packaging
5mg
Price
$1000
Updated
2021/12/16
TRC
Product number
T703500
Product name
Trabectedin
Packaging
25mg
Price
$3500
Updated
2021/12/16
ApexBio Technology
Product number
A3886
Product name
Trabectedin
Packaging
1mg
Price
$2511
Updated
2021/12/16
American Custom Chemicals Corporation
Product number
API0005339
Product name
TRABECTEDIN
Purity
95.00%
Packaging
10MG
Price
$55440
Updated
2021/12/16
DC Chemicals
Product number
DC10611
Product name
Trabectedin
Purity
>99%
Packaging
5mg
Price
$1700
Updated
2021/12/16
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Trabectedin Chemical Properties,Usage,Production

Description

Trabectedin is a marine natural product derived from the tunicate Ecteinascidia turbinate. With its demonstrated in vitro and in vivo activity against a range of solid tumor cell lines, human xenografts and tumor explants, this antineoplastic agent has been developed and launched for the treatment of advanced STS after failure of first-line therapy with anthracyclines or ifosfamide or in patients who are unsuited to receive these agents. Its proposed mechanism of action involves binding to the N2 position of guanine in the minor groove demonstrating a preference for sequences containing 5′-PuGC and 5′-PyGG motifs. Subsequent alkylation of DNA, via an iminium intermediate generated from an intra-molecular acid-catalyzed activation and dehydration of the carbinolamine, induces a curvature of the DNA toward the major groove that ultimately disrupts the binding of transcription factors involved in cell proliferation. Evaluation of trabectedin against the National Cancer Institute’s human in vitro cell line panel, including melanoma, non-small-cell lung, ovarian, renal, prostate, and breast cancer, demonstrated potencies ranging from 1 pM to 10 nM.

Originator

University of Illinois (US)

Uses

A tetrahydroisoquinoline alkaloid with antitumor activity isolated from the Caribbean tunicate, Ecteinascidin turbinata. It is the first marine anticancer agent approved in the European Union for patients with soft tissue sarcoma (STS). Antineoplastic.

Definition

ChEBI: A tetrahydroisoquinoline alkaloid obtained from a Caribbean tunicate Ecteinascidia turbinata. Used for the treatment of soft tissue sarcoma and relapsed ovarian cancer.

brand name

Yondelis

Clinical Use

Antineoplastic agent:
Advanced soft tissue sarcoma
Ovarian cancer

Side effects

The most common adverse events included nausea, fatigue, vomiting, anorexia, neutropenia, and increases in aspartate aminotransferase and alanine aminotransferase liver enzymes. To combat the nausea and vomiting, all patients must receive 20mg of dexamethasone intravenously before the trabectedin infusion. Not only does this pretreatment have an antiemetic effect, it also appears to offer a hepatoprotective benefit. Concomitant administration of potent inhibitors and inducers of CYP3A4 should be avoided since plasma levels of this CYP3A4- metabolized drug will be affected. Trabectedin is contraindicated in patients with a known hypersensitivity to trabectedin, concurrent serious or uncontrolled infection, or breast-feeding. Trabectedin should also not be administered in combination with yellow fever vaccine. Finally, there are strict criteria regarding absolute neutrophil count, platelet count, and renal and hepatic enzyme levels for permission to initiate or continue treatment with trabectedin.

Synthesis

While the challenging total synthesis of trabectedin has been accomplished by a few research groups, the commercial preparation begins from readily available cyanosafracin B in 21 steps. Following the Boc and MOM protection of the amine and phenol functionalities, respectively, the methoxy-pquinone was hydrolyzed with sodium hydroxide in methanol. The resulting quinine was reduced (hydrogen over Pd/C) to give an unstable hydroquinone that was subsequently alkylated with bromochloromethane and allyl bromide. The MOM and Boc groups were then removed followed by cleavage of the amide by Edman degradation (through formation of the thiourea with phenyl isothiocyanate and treatment with HCl in 1,4-dioxane). At this point, the amine was protected as the TROC carbamate before reprotecting the phenol as the MOM ether and then liberating the amine with zinc in acetic acid. The amine was converted to an alcohol moiety with sodium nitrite in acetic acid, and this handle was acylated with (S)-N-[(trichloroethoxy)carbonyl]-S-(9-fluorenylmethyl)cysteine. Removal of the allyl-protecting group followed by oxidation provided an 492 Shridhar Hegde and Michelle Schmidt alpha-hydroxy ketone intermediate. Dehydration and deprotection of the cysteine established the Michael addition of the thiol to the o-quinone methide with concomitant trapping with acetic anhydride. The remaining steps involved removal of protecting groups, installation of the tetrahydroisoquinoline ring via a Pictet Spengler reaction, and conversion of the cyano to the alcohol of the carbinolamine with silver nitrate in acetonitrile and water.

Drug interactions

Potentially hazardous interactions with other drugs
Alcohol: Avoid concomitant use.
Antibacterials: concentration reduced by rifampicin.
Antipsychotics: avoid with clozapine, increased risk of agranulocytosis.
Vaccines: risk of generalised infections - avoid.

Metabolism

Metabolised in the liver, mainly by cytochrome P450 isoenzyme CYP3A4. Excreted mainly via the faeces.

Trabectedin Preparation Products And Raw materials

Raw materials

Preparation Products

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Trabectedin Suppliers

WuYan Pharmaceutical Technology (Shanghai) Co., Ltd.
Tel
021-61001086 13671938079
Fax
021-61114075
Email
sales@wuyanpharm.com
Country
China
ProdList
104
Advantage
55
CE Pharm Co.,Ltd
Tel
15317222985
Fax
binbin.lin@cepharm.cn
Email
bingna.wang@cepharm.cn
Country
China
ProdList
141
Advantage
58
Xilinglab Co., Ltd.
Tel
18884146872
Email
bd@xilinglab.com
Country
China
ProdList
12
Advantage
58
Shanghai Haoyuan Chemexpress Co., Ltd.
Tel
021-58950125
Fax
021-58955996
Email
info@chemexpress.com
Country
China
ProdList
774
Advantage
58
DebyeTec.com Inc.
Tel
18086626237 18086626237
Fax
qq:2693528373
Email
sales@debyesci.com
Country
China
ProdList
2644
Advantage
56
Chemvon Biotechnology Co., Ltd
Tel
021-50790412
Fax
+86-21-50790419
Email
info@chemvon.com
Country
China
ProdList
371
Advantage
57
Chembest Research Laboratories Limited
Tel
+86-21-20908456
Fax
021-58180499
Email
sales@BioChemBest.com
Country
China
ProdList
6005
Advantage
61
LGM Pharma
Tel
1-(800)-881-8210
Fax
615-250-9817
Email
inquiries@lgmpharma.com
Country
United States
ProdList
2123
Advantage
70
Chemsky (shanghai) International Co.,Ltd
Tel
021-50135380
Email
shchemsky@sina.com
Country
China
ProdList
15402
Advantage
60
NCE Biomedical Co.,Ltd.
Tel
4000-027-021 |24 +86-13986109188 | +86-15623472865 | +81-08033611988
Fax
+86-27-87599188
Country
China
ProdList
1493
Advantage
55
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View Lastest Price from Trabectedin manufacturers

WUHAN FORTUNA CHEMICAL CO., LTD
Product
Trabectedin 114899-77-3
Price
US $0.00/MG
Min. Order
1MG
Purity
98%min
Supply Ability
30kg/month
Release date
2023-02-06
Hebei Yanxi Chemical Co., Ltd.
Product
ecteinascidin 743 114899-77-3
Price
US $30.00-11.00/kg
Min. Order
1kg
Purity
0.99
Supply Ability
20 tons
Release date
2023-11-23
Career Henan Chemical Co
Product
ecteinascidin 743 114899-77-3
Price
US $2.00/kg
Min. Order
1kg
Purity
99%
Supply Ability
100kg
Release date
2018-12-23

114899-77-3, TrabectedinRelated Search:


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  • Trabectedin
  • (1'R,6R,6aR,7R,13S,14S,16R)-
  • ET-743
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  • Ecteinascidin
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  • Yondelis R ,Trabectedin
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  • Trabectedin (Ecteinascidin 743)
  • PKVRCIRHQMSYJX-ZKZLGIKISA-N
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  • ECTEINASCIDIN 743; ET-743; ECTEINASCIDIN
  • Trabectedin, >95%
  • Trabectedin (Yondelis)
  • Spiro[6,16-(epithiopropanoxymethano)-7,13-imino-12H-1,3-dioxolo[7,8]isoquino[3,2-b][3]benzazocine-20,1'(2'H)-isoquinolin]-19-one, 5-(acetyloxy)-3',4',6,6a,7,13,14,16-octahydro-6',8,14-trihydroxy-7',9-dimethoxy-4,10,23-trimethyl-, (1'R,6R,6aR,7R,13S,14S,16R)-
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  • (1′R,6R,6aR,7R,13S,14S,16R)-5-(Acetyloxy)-3′,4′,6,6a,7,13,14,16-octahydro-6′,8,14-trihydroxy-7′,9-dimethoxy-4,10,23-trimethylspiro[6,16-(epithiopropanoxymethano)-7,13-imino-12H-1,3-dioxolo[7,8]isoquino[3,2-b][3]benzazocine-20,1′(2′H)-isoquinolin]-19-one
  • 114899-77-3
  • C39H43N3O11S
  • Amines
  • Heterocycles
  • Intermediates & Fine Chemicals
  • Pharmaceuticals
  • API
  • 114899-77-3