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Veliparib 2HCl (ABT-888)

CAT: 0013-GTR19172339-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19172339-01Size:5 mg
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Description
Veliparib dihydrochloride is a potent and selective PARP1/2 inhibitor with Ki values of 5.2 nM and 2.9 nM, respectively, while showing no activity against SIRT2. This small molecule is widely used in cancer research, particularly in studying synthetic lethality and chemo/radiosensitization in both cellular and animal models.
CAS Number
912445-05-7
Product Name Alternative
ABT-888
Field of Research
Cell Biology, Epigenetics & Chromatin, Molecular Biology
Purity
>98%
Bioactivity
PARP 1&2 inhibitor
Form
Powder
Solubility
Soluble in DMSO (up to 30 mg/ml) or in Water (up to 40 mg/ml) .
Smiles
Cl.Cl.C[C@@]1 (CCCN1) c1nc2c (cccc2[nH]1) C (N) =O
Molecular Formula
C13H16N4O • 2HCl
Molecular Weight
317.2
Storage Conditions
-20°C
Notes
For research use only.
Other Product Names
2-[ (2R) -2-Methyl-2-pyrrolidinyl]-1H-benzimidazole-7-carboxamide, dihydrochloride

Chemical Information

(R)-2-(2-methylpyrrolidin-2-yl)-1H-benzo(d)imidazole-4-carboxamide dihydrochloride
CAS Number912445-05-7
PubChem CID45480520
IUPAC Name2-[(2R)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide;dihydrochloride
Molecular FormulaC13H18Cl2N4O
Molecular Weight317.21
Topological Polar Surface Area83.8
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count20
Formal Charge0
Complexity348
SMILES
C[C@@]1(CCCN1)C2=NC3=C(C=CC=C3N2)C(=O)N.Cl.Cl
InChI
InChI=1S/C13H16N4O.2ClH/c1-13(6-3-7-15-13)12-16-9-5-2-4-8(11(14)18)10(9)17-12;;/h2,4-5,15H,3,6-7H2,1H3,(H2,14,18)(H,16,17);2*1H/t13-;;/m1../s1
InChIKey
DSBSVDCHFMEYBX-FFXKMJQXSA-N
Chemical Structure
2D Structure
2D structure of (R)-2-(2-methylpyrrolidin-2-yl)-1H-benzo(d)imidazole-4-carboxamide dihydrochloride
CAS: 912445-05-7
CID: 45480520
Formula: C13H18Cl2N4O
MW: 317.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight317.21
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass316.0857666
Monoisotopic Mass316.0857666
Topological Polar Surface Area83.8 Ų
Heavy Atom Count20
Formal Charge0
Complexity348
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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