ChemicalBook--->CAS DataBase List--->912445-05-7

912445-05-7

912445-05-7 Structure

912445-05-7 Structure
IdentificationBack Directory
[Name]

ABT-888
[CAS]

912445-05-7
[Synonyms]

ABT-88
ABT-888
Willipani
ABT888 HCl
Veliparib HCl
ABT 888;ABT888
Veliparib 2HCl
ABT888(2HCl salt)
ABT-888 USP/EP/BP
ABT888(Veliparib HCL)
ABT-888 dihydrochloride
Veliparib hydrochloride
Veliparib dihydrochloride
Veliparib dihydrochloride salt
Veliparib dihydrochloride, >=98%
Veliparib (ABT-888 hydrochloride)
ABT-888(Veliparib dihydrochloride)
Veliparib (ABT-888) dihydrochloride
2-[(2S)-2-Methyl-2-pyrrolidinyl]-1H-benziMidazole-4-carboxaMide
ABT 888 dihydrochloride - Veliparib dihydrochloride | A 861695 dihydrochloride
2-[(2R)-2-Methylpyrrolidin-2-yl]-1H-benzimidazole-7-carboxamide dihydrochloride
2-[(2R)-2-Methyl-2-pyrrolidinyl]-1H-benzimidazole-4-carboxamide dihydrochloride
2-[(2R)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide,dihydrochloride
(R)-2-(2-Methylpyrrolidin-2-yl)-1H-benzo[d]imidazole-4-carboxamide dihydrochloride
2-[(2R)-2-Methylpyrrolidin-2-yl]-1H-benimidazole-4- carboxamide,dihydrochloridesalt
1H-Benzimidazole-7-carboxamide, 2-[(2R)-2-methyl-2-pyrrolidinyl]-, hydrochloride (1:2)
(R)-2-(2-Methylpyrrolidin-2-yl)-1H-benimidazole-4-carboxamide dihydrochloride (VELIPARIB)
[EINECS(EC#)]

1592732-453-0
[Molecular Formula]

C13H16N4O
[MDL Number]

MFCD12407402
[MOL File]

912445-05-7.mol
[Molecular Weight]

244.296
Chemical PropertiesBack Directory
[Melting point ]

>173°C (dec.)
[storage temp. ]

Refrigerator
[solubility ]

Methanol (Slightly, Heated), THF (Slightly, Heated)
[form ]

Colorless to white crystalline solid.
[color ]

Off-White to Dark Yellow
[InChI]

InChI=1/C13H16N4O/c1-7-5-6-15-10(7)13-16-9-4-2-3-8(12(14)18)11(9)17-13/h2-4,7,10,15H,5-6H2,1H3,(H2,14,18)(H,16,17)/t7-,10?/s3
[InChIKey]

FXRVOXLVQCUUGN-IEOOLIIMNA-N
[SMILES]

C1=C(C(=O)N)C2=C(NC(C3[C@H](C)CCN3)=N2)C=C1 |&1:10,r|
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H317
[Precautionary statements ]

P280-P305+P351+P338
Hazard InformationBack Directory
[Uses]

Potent inhibitor of PARP-1 and PARP-2 (potency ≤5nM in vitro). Does not inhibit other NAD-binding enzymes. Has minimal CYP450 inhibition and induction. Shows broad spectrum of chemo- and radiopotentiation. Is toxic to both oxic and hypoxic cells. Enantiomeric purity ≥97% suitable for in vivo studies. Does not show inherent cytotoxicity and shows no single agent activity in tumor models. Has excellent bioavailability and good blood-brain permeation. Increases tumor growth delay resulting from radiation and DNA-damaging agents.
[in vivo]

The oral bioavailability of Veliparib is 56%-92% in mice, SD rats, beagle dogs, and cynomolgus monkeys after oral administration[1]. Veliparib (25 mg/kg, i.p.) can improve tumor growth delay in a NCI-H460 xenograft model. Combination with radiation, veliparib decreases the tumor vessel formation[3]. Veliparib reduces intratumor PAR levels by more than 95% at a dose of 3 and 12.5 mg/kg in A375 and Colo829 xenograft models and the suppression can be maintained over time[4].

[IC 50]

PARP-2: 2.9 nM (Ki); PARP-1: 5.2 nM (Ki)
[storage]

Store at -20°C
Spectrum DetailBack Directory
[Spectrum Detail]

ABT-888(912445-05-7)1HNMR
912445-05-7 suppliers list
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