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S65487

CAT: 0013-GTR19191045-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19191045-02Size:5 mg
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Description
S65487 (VOB560) is a potent and selective Bcl-2 inhibitor active against wild-type and mutant forms (e.g., G101V, D103Y) . Its high selectivity over MCL-1, BFL-1, and BCL-XL underpins its utility in apoptosis research, demonstrating robust anticancer activity in both cellular assays and in vivo preclinical models.
CAS Number
1644600-79-2
Product Name Alternative
S 65487, S65487, S-65487, VOB 560, VOB560
Field of Research
Cell Biology
Purity
99.03% (May vary between batches)
Solubility
DMSO:160 mg/mL (223.07 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:5 mg/mL (6.97 mM)
Smiles
N (C (=O) C=1C=C (N (C) C1C) C2=C (C (=O) N3[C@H] (CN4CCOCC4) CC=5C (C3) =CC=CC5) C=CC (Cl) =C2) (C=6C=C (C#N) N (C) C6C) C7=CC=C (O) C=C7
Molecular Formula
C41H41ClN6O4
Molecular Weight
717.26
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

VOB560 HCl

S65487 a potent and selective BCL-2 inhibitor, and a prodrug of S55746.

CAS Number1644600-79-2
PubChem CID112500313
IUPAC Name5-[5-chloro-2-[(3S)-3-(morpholin-4-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-N-(5-cyano-1,2-dimethylpyrrol-3-yl)-N-(4-hydroxyphenyl)-1,2-dimethylpyrrole-3-carboxamide
Molecular FormulaC41H41ClN6O4
Molecular Weight717.3
XLogP5.5
Topological Polar Surface Area107
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count52
Formal Charge0
Complexity1300
SMILES
CC1=C(C=C(N1C)C2=C(C=CC(=C2)Cl)C(=O)N3CC4=CC=CC=C4C[C@H]3CN5CCOCC5)C(=O)N(C6=CC=C(C=C6)O)C7=C(N(C(=C7)C#N)C)C
InChI
InChI=1S/C41H41ClN6O4/c1-26-36(41(51)48(31-10-12-34(49)13-11-31)38-21-32(23-43)44(3)27(38)2)22-39(45(26)4)37-20-30(42)9-14-35(37)40(50)47-24-29-8-6-5-7-28(29)19-33(47)25-46-15-17-52-18-16-46/h5-14,20-22,33,49H,15-19,24-25H2,1-4H3/t33-/m0/s1
InChIKey
VNNWQLOUMFCVJD-XIFFEERXSA-N
Chemical Structure
2D Structure
2D structure of VOB560 HCl
CAS: 1644600-79-2
CID: 112500313
Formula: C41H41ClN6O4
MW: 717.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight717.3
XLogP35.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass716.2877815
Monoisotopic Mass716.2877815
Topological Polar Surface Area107 Ų
Heavy Atom Count52
Formal Charge0
Complexity1300
Isotope Atom Count0
Defined Atom Stereocenter Count1
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
BA3028-1S65487
T39135-01S65487 hydrochloride
T40070S65487 sulfate
HY-138697B-01S65487 (hydrochloride)
HY-138697A-01S65487 (sulfate)

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