Binding Mode
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TPX-0005

Binding Mode
Product Name
TPX-0005
CAS No.
1802220-02-5
Chemical Name
TPX-0005
Synonyms
Repotrectinib;TPX-005;Ropotrectinib;CS-2479;TPX-0005;Loprotinib;PX0005(Ropotrectinib);TPX0005(Ropotrectinib);Repotrectinib,TPX-0005;TPX-0005,Repotrectinib
CBNumber
CB83312797
Molecular Formula
C18H18FN5O2
Formula Weight
355.37
MOL File
1802220-02-5.mol
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TPX-0005 Property

Density 
1.46±0.1 g/cm3(Predicted)
storage temp. 
Store at -20°C
solubility 
DMSO:35.0(Max Conc. mg/mL);98.5(Max Conc. mM)
Ethanol:10.0(Max Conc. mg/mL);28.1(Max Conc. mM)
form 
A crystalline solid
pka
10.79±0.60(Predicted)
color 
White to off-white
InChI
InChI=1S/C18H18FN5O2/c1-10-8-20-18(25)14-9-21-24-6-5-16(23-17(14)24)22-11(2)13-7-12(19)3-4-15(13)26-10/h3-7,9-11H,8H2,1-2H3,(H,20,25)(H,22,23)/t10-,11+/m0/s1
InChIKey
FIKPXCOQUIZNHB-WDEREUQCSA-N
SMILES
O1C2=CC=C(F)C=C2[C@@H](C)NC2C=CN3C(N=2)=C(C=N3)C(=O)NC[C@@H]1C
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H302Harmful if swallowed

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

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

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

Cayman Chemical
Product number
23397
Product name
TPX-0005
Purity
≥98%
Packaging
1mg
Price
$32
Updated
2024/03/01
Cayman Chemical
Product number
23397
Product name
TPX-0005
Purity
≥98%
Packaging
5mg
Price
$139
Updated
2024/03/01
Cayman Chemical
Product number
23397
Product name
TPX-0005
Purity
≥98%
Packaging
10mg
Price
$243
Updated
2024/03/01
Cayman Chemical
Product number
23397
Product name
TPX-0005
Purity
≥98%
Packaging
25mg
Price
$533
Updated
2024/03/01
ChemScene
Product number
CS-7628
Product name
Repotrectinib
Purity
99.81%
Packaging
50mg
Price
$590
Updated
2021/12/16
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TPX-0005 Chemical Properties,Usage,Production

Binding Mode

The cocrystal structures of repotrectinib with TRK proteins are yet to be reported. However, a docking model with TRKA suggests that the pyrazole nitrogen forms hydrogen bonds with Met592 in the hinge area. The fluorophenyl group, positioned in a hydrophobic pocket, aligns perpendicularly to the macrocycle, and the lactam oxygen atom engages in a water-mediated hydrogen bond with Met592 in the hinge region (Figs. 1,2).

Description

Ropotrectinib (TPX-0005; TP Therapeutics, San Diego, CA, USA) is a nextgeneration ROS1 inhibitor, a novel three-dimensional macrocyle with a much smaller size (MW <370) than current ROS1 inhibitors. It was specifically designed to overcome resistance mutations. Preclinical studies have shown activity against gatekeeper and solvent mutations, including G2032R, D2033N, L2026M, S1986F/Y, L1951R, and kinases involved in bypass signaling such as focal adhesion kinase, SRC proto-oncogene, and non-receptor tyrosine kinase [102, 103].

Description

Repotrectinib, also known as TPX-0005, is a multikinase (ROS1, ALK, and TRKA/B/C) inhibitor that is tested in an ongoing first-in-human phase 1/2 trail (NCT03093116).

General Description

Class: receptor tyrosine kinase; Treatment: NSCLC; Other name: TPX-0005

Biological Activity

Repotrectinib is a potent inhibitor targeting solvent-front mutations (SFMs) of ROS1, pan-TRK, and ALK. It effectively inhibits the kinase activity of wild-type ROS1, TRKA-C, and ALK, along with their SFMs, with IC50 values ranging from 0.071 to 4.46 nM. The compound shows high potency against ROS1 and TRKA-C, with approximately 15-fold selectivity over ALK.

Clinical Use

Repotrectinib has advantage with central nervous system (CNS) penetration, aimed to target both wide-type (WT) and solvent-front mutations (SFM) kinases and other resistance mutations including ROS1-G2032R and ROS1-D2033N, TRKA-G595R, TRKB-G639R, TRKC-G623R, and ALK-G1202R.

target

Primary targets: NTRK, ROS, ALT

TPX-0005 Preparation Products And Raw materials

Raw materials

Preparation Products

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TPX-0005 Suppliers

Shanghai Hope Chem Co., Ltd.,
Tel
+21-18501659228 18501659228
Fax
sales@hope-chem.com
Email
info@hope-chem.com
Country
China
ProdList
482
Advantage
55
Anqing Benro pharmachem Technology Co.,Ltd.
Tel
05565209906 15391842992
Email
794263564@qq.com
Country
China
ProdList
115
Advantage
58
Chunchuang (Wuhan) Technology Co., Ltd
Tel
15342225168
Email
yutianchun2007@126.com
Country
China
ProdList
10001
Advantage
58
ShangHai Caerulum Pharma Discovery Co., Ltd.
Tel
18149758185 18149758185
Email
sales-cpd@caerulumpharma.com
Country
China
ProdList
3466
Advantage
58
Suzhou Ryan Pharmaceutical Technology Co., Ltd.
Tel
0512-68780025 18962125825
Email
sales@ryanchem.com
Country
China
ProdList
162
Advantage
62
Suzhou Albertchem Co.,Ltd.
Tel
0512-88968486 18012631750
Email
sales@albertchemical.com
Country
China
ProdList
285
Advantage
58
Beijing Zhongshuo Pharmaceutical Technology Development Co., Ltd
Tel
010-53679529 13801208576
Fax
010-64215766
Email
sales.2@chinazhongshuo.com
Country
China
ProdList
99
Advantage
65
BOC Sciences
Tel
1-631-485-4226; 16314854226
Email
info@bocsci.com
Country
United States
ProdList
14055
Advantage
65
Dalian Meilun Biotech Co., Ltd.
Tel
0411-62910999 13889544652
Email
meilunui@163.com
Country
China
ProdList
4727
Advantage
58
MedChemexpress LLC
Tel
021-58955995
Fax
609-228-5909
Email
sales@medchemexpress.cn
Country
United States
ProdList
4861
Advantage
58
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View Lastest Price from TPX-0005 manufacturers

Nanjing Fred Technology Co., Ltd
Product
Repotrectinib 1802220-02-5
Price
US $0.00-0.00/kg
Min. Order
1kg
Purity
99%, Single impurity<0.1
Supply Ability
1 ton
Release date
2023-12-20
Jinan Million Pharmaceutical Co., Ltd
Product
Repotrectinib/TPX-0005 1802220-02-5
Price
US $2.00/kg
Min. Order
1kg
Purity
99%
Supply Ability
50KG/M
Release date
2023-08-14
Hebei Yanxi Chemical Co., Ltd.
Product
TPX-0005 1802220-02-5
Price
US $50.00/kg
Min. Order
1kg
Purity
0.99
Supply Ability
10000
Release date
2023-11-16

1802220-02-5, TPX-0005Related Search:


  • Ropotrectinib
  • TPX-0005;TPX 0005;TPX0005
  • CS-2479
  • Repotrectinib(TPX-005)
  • Repotrectinib
  • Repotrectinib,TPX-0005
  • TPX-0005
  • 1,15-Etheno-1H-pyrazolo[4,3-f][1,4,8,10]benzoxatriazacyclotridecin-4(5H)-one,11-fluoro-6,7,13,14-tetrahydro-7,13-dimethyl-, (7S,13R)-
  • TPX-0005,Repotrectinib
  • TPX-005
  • TPX0005(Ropotrectinib)
  • Ropotrectinib(TPX0005)
  • Loprotinib
  • (7S,13R)-11-Fluoro-6,7,13,14-tetrahydro-7,13-dimethyl-1,15-etheno-1H-pyrazolo[4,3-f][1,4,8,10]benzoxatriazacyclotridecin-4(5H)-one
  • PX0005(Ropotrectinib)
  • 1802220-02-5
  • 180222-02-5
  • API
  • 1802220-02-5