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Obatoclax Mesylate

CAT: 0931-T6275-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T6275-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
803712-79-0
Target
Bcl-2 Family, Autophagy, Parasite
Related Pathways
Microbiology/Virology, Apoptosis, Autophagy
Purity
0.9988
Bioactivity
Obatoclax Mesylate (GX15-070) is a Bcl-2 antagonist (Ki: 0.22 μM) and can induce apoptosis with up-regulation of Bim, induced cytochrome c release, and activation of caspase-3.
Smiles
CS(O)(=O)=O.COc1cc([nH]c1=Cc1[nH]c(C)cc1C)=C1C=c2ccccc2=N1
Molecular Formula
C20H19N3O·CH4O3S
Molecular Weight
413.49
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Obatoclax mesylate

See also: Obatoclax Mesylate (annotation moved to).

CAS Number803712-79-0
PubChem CID16681698
IUPAC Name(2Z)-2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]indole;methanesulfonic acid
Molecular FormulaC21H23N3O4S
Molecular Weight413.5
Topological Polar Surface Area112
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count29
Formal Charge0
Complexity869
SMILES
CC1=CC(=C(N1)/C=C\2/C(=C/C(=C/3\C=C4C=CC=CC4=N3)/N2)OC)C.CS(=O)(=O)O
InChI
InChI=1S/C20H19N3O.CH4O3S/c1-12-8-13(2)21-16(12)10-19-20(24-3)11-18(23-19)17-9-14-6-4-5-7-15(14)22-17;1-5(2,3)4/h4-11,21,23H,1-3H3;1H3,(H,2,3,4)/b18-17-,19-10-;
InChIKey
ZVAGBRFUYHSUHA-LZOXOEDVSA-N
Chemical Structure
2D Structure
2D structure of Obatoclax mesylate
CAS: 803712-79-0
CID: 16681698
Formula: C21H23N3O4S
MW: 413.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight413.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass413.14092740
Monoisotopic Mass413.14092740
Topological Polar Surface Area112 Ų
Heavy Atom Count29
Formal Charge0
Complexity869
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
461427-01Obatoclax Mesylate
HY-10969-01Obatoclax (Mesylate)
A10665-10Obatoclax mesylate 10mg
A10665-5Obatoclax mesylate 5mg
A10665-50Obatoclax mesylate 50mg
A10665-25Obatoclax mesylate 25mg
A4194-100Obatoclax mesylate (GX15-070)

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