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ABT-199

CAT: 0607-A8194-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-A8194-50Size:50 mg
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Description
Bcl-2 inhibitor,potent and selective
CAS Number
1257044-40-8
Product Name Alternative
4-[4-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-N-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide
Sequence
ABT199, ABT 199, GDC0199, GDC-0199
Field of Research
Apoptosis Bcl-2 Family
Purity
0.9817
Form
A solid
Solubility
≥43.42 mg/mL in DMSO; insoluble in EtOH; insoluble in H2O
Smiles
CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCC6CCOCC6)[N+](=O)[O-])OC7=CN=C8C(=C7)C=CN8)C
Molecular Formula
C45H50ClN7O7S
Molecular Weight
868.44
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Venetoclax

Venetoclax is a member of the class of pyrrolopyridines that is a potent inhibitor of the antiapoptotic protein B-cell lymphoma 2. It is used for treamtment of chronic lymphocytic leukemia with 17p deletion. It has a role as a B-cell lymphoma 2 inhibitor, an antineoplastic agent and an apoptosis inducer. It is an aromatic ether, a C-nitro compound, a pyrrolopyridine, a N-alkylpiperazine, a N-arylpiperazine, a member of oxanes, a member of monochlorobenzenes and a N-sulfonylcarboxamide.

CAS Number1257044-40-8
PubChem CID49846579
IUPAC Name4-[4-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-N-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide
Molecular FormulaC45H50ClN7O7S
Molecular Weight868.4
XLogP8.2
Topological Polar Surface Area183
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count12
Heavy Atom Count61
Formal Charge0
Complexity1640
SMILES
CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCC6CCOCC6)[N+](=O)[O-])OC7=CN=C8C(=C7)C=CN8)C
InChI
InChI=1S/C45H50ClN7O7S/c1-45(2)15-11-33(39(26-45)31-3-5-34(46)6-4-31)29-51-17-19-52(20-18-51)35-7-9-38(42(24-35)60-36-23-32-12-16-47-43(32)49-28-36)44(54)50-61(57,58)37-8-10-40(41(25-37)53(55)56)48-27-30-13-21-59-22-14-30/h3-10,12,16,23-25,28,30,48H,11,13-15,17-22,26-27,29H2,1-2H3,(H,47,49)(H,50,54)
InChIKey
LQBVNQSMGBZMKD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Venetoclax
CAS: 1257044-40-8
CID: 49846579
Formula: C45H50ClN7O7S
MW: 868.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight868.4
XLogP38.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count12
Exact Mass867.3180958
Monoisotopic Mass867.3180958
Topological Polar Surface Area183 Ų
Heavy Atom Count61
Formal Charge0
Complexity1640
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
440701-01ABT 199
sc-472284DABT-199
C13154-5mgVenetoclax (ABT-199)
440708ABT-199-D10
TRC-A112430-5MGABT 199 (Venetoclax)
MBS384107-01ABT-199 (Venetoclax)
TRC-A112425-100MGABT 199 (>99%)(Venetoclax)

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