ChemicalBook > CAS DataBase List > (S)-5-((1-(3-oxo-3-(4-(5-(trifluoromethyl)pyrimidin-2-yl)piperazin-1-yl)propoxy)propan-2-yl)amino)-4-(trifluoromethyl)pyridazin-3(2H)-one

(S)-5-((1-(3-oxo-3-(4-(5-(trifluoromethyl)pyrimidin-2-yl)piperazin-1-yl)propoxy)propan-2-yl)amino)-4-(trifluoromethyl)pyridazin-3(2H)-one

Product Name
(S)-5-((1-(3-oxo-3-(4-(5-(trifluoromethyl)pyrimidin-2-yl)piperazin-1-yl)propoxy)propan-2-yl)amino)-4-(trifluoromethyl)pyridazin-3(2H)-one
CAS No.
2381037-82-5
Chemical Name
(S)-5-((1-(3-oxo-3-(4-(5-(trifluoromethyl)pyrimidin-2-yl)piperazin-1-yl)propoxy)propan-2-yl)amino)-4-(trifluoromethyl)pyridazin-3(2H)-one
Synonyms
Cpd 561;RNB-2397;RBM-2397;RBN-2397;Atamparib;Atamparib (RBN-2397);RBN-2397, 10 mM in DMSO;(S)-5-((1-(3-oxo-3-(4-(5-(trifluoromethyl)pyrimidin-2-yl)piperazin-1-yl)propoxy)propan-2-yl)amino)-4-(trifluoromethyl)pyridazin-3(2H)-one;4-[[(2S)-1-[3-oxo-3-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propoxy]propan-2-yl]amino]-5-(trifluoromethyl)-1H-pyridazin-6-one;3(2H)-Pyridazinone, 5-[[(1S)-1-methyl-2-[3-oxo-3-[4-[5-(trifluoromethyl)-2-pyrimidinyl]-1-piperazinyl]propoxy]ethyl]amino]-4-(trifluoromethyl)-
CBNumber
CB56187865
Molecular Formula
C20H23F6N7O3
Formula Weight
523.43
MOL File
2381037-82-5.mol
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(S)-5-((1-(3-oxo-3-(4-(5-(trifluoromethyl)pyrimidin-2-yl)piperazin-1-yl)propoxy)propan-2-yl)amino)-4-(trifluoromethyl)pyridazin-3(2H)-one Property

Density 
1.53±0.1 g/cm3(Predicted)
solubility 
DMSO:200.0(Max Conc. mg/mL);382.1(Max Conc. mM)
form 
A crystalline solid
pka
9.56±0.60(Predicted)
color 
White to off-white
InChIKey
UQZCQKXJAXKZQH-LBPRGKRZSA-N
SMILES
C1(=O)NN=CC(N[C@@H](C)COCCC(=O)N2CCN(C3=NC=C(C(F)(F)F)C=N3)CC2)=C1C(F)(F)F
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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.

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

P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.

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

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

ChemScene
Product number
CS-0120272
Product name
RBN-2397
Purity
99.45%
Packaging
5mg
Price
$500
Updated
2021/12/16
ChemScene
Product number
CS-0120272
Product name
RBN-2397
Purity
99.45%
Packaging
10mg
Price
$850
Updated
2021/12/16
ChemScene
Product number
CS-0120272
Product name
RBN-2397
Purity
99.45%
Packaging
25mg
Price
$1250
Updated
2021/12/16
ChemScene
Product number
CS-0120272
Product name
RBN-2397
Purity
99.45%
Packaging
50mg
Price
$1850
Updated
2021/12/16
ChemScene
Product number
CS-0120272
Product name
RBN-2397
Purity
99.45%
Packaging
100mg
Price
$2750
Updated
2021/12/16
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(S)-5-((1-(3-oxo-3-(4-(5-(trifluoromethyl)pyrimidin-2-yl)piperazin-1-yl)propoxy)propan-2-yl)amino)-4-(trifluoromethyl)pyridazin-3(2H)-one Chemical Properties,Usage,Production

Uses

RBN-2397 can be prepared as a PARP7 inhibitor, which is useful for treating cancer.

in vivo

RBN-2397 (oral administration; 3-100 mg/kg; once daily; 24-32 days) induces tumor-specific adaptive immune memory in CT26 syngeneic model with durable complete responses in CT26 tumor-bearing BALB/c mice[2].RBN-2397 (oral administration; 3-100 mg/kg; once daily; 32 days) causes complete regressions at the dose 100 mg/kg and exerts a dose-dependent effects on tumor growth at dose levels of ≥30 mg/kg[2].The half-life (t1/2) of RBN-2397 in vivo is 325 mins[2].

Animal Model:CB17 SCID mice with NCI-H1373 xenografts[2]
Dosage:3 mg/kg, 10mg/kg, 30 mg/kg, 100 mg/kg
Administration:Oral administration; once daily; 24-32 days
Result:Decreased tumor volume and exerted anti-tumor effects.

IC 50

PARP-7: 3 nM (IC50); PARP-7: 1 nM (Kd)

(S)-5-((1-(3-oxo-3-(4-(5-(trifluoromethyl)pyrimidin-2-yl)piperazin-1-yl)propoxy)propan-2-yl)amino)-4-(trifluoromethyl)pyridazin-3(2H)-one Preparation Products And Raw materials

Raw materials

Preparation Products

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(S)-5-((1-(3-oxo-3-(4-(5-(trifluoromethyl)pyrimidin-2-yl)piperazin-1-yl)propoxy)propan-2-yl)amino)-4-(trifluoromethyl)pyridazin-3(2H)-one Suppliers

China 86 United States 5 Global 91
Ruichen Kangda Biomedical (Wuhan) Co., Ltd.
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2381037-82-5, (S)-5-((1-(3-oxo-3-(4-(5-(trifluoromethyl)pyrimidin-2-yl)piperazin-1-yl)propoxy)propan-2-yl)amino)-4-(trifluoromethyl)pyridazin-3(2H)-oneRelated Search:

DEMETON S

  • RBN-2397
  • (S)-5-((1-(3-oxo-3-(4-(5-(trifluoromethyl)pyrimidin-2-yl)piperazin-1-yl)propoxy)propan-2-yl)amino)-4-(trifluoromethyl)pyridazin-3(2H)-one
  • Cpd 561
  • 3(2H)-Pyridazinone, 5-[[(1S)-1-methyl-2-[3-oxo-3-[4-[5-(trifluoromethyl)-2-pyrimidinyl]-1-piperazinyl]propoxy]ethyl]amino]-4-(trifluoromethyl)-
  • Atamparib
  • Atamparib (RBN-2397)
  • 4-[[(2S)-1-[3-oxo-3-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propoxy]propan-2-yl]amino]-5-(trifluoromethyl)-1H-pyridazin-6-one
  • RBM-2397
  • inhibit,carcinoma,Inhibitor,RBN-2397,NSCLC,RBN 2397,PARP,advanced,metastatic,squamous,cell,ovarian,poly ADP ribose polymerase,solid,RBN2397,tumor,lung
  • RNB-2397
  • RBN-2397, 10 mM in DMSO
  • 2381037-82-5
  • C20H23F6N7O3