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Apoptosis inducer 10

CAT: 0931-T62399-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T62399-02Size:50 mg
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CAS Number
2379310-39-9
Target
Others, Apoptosis
Related Pathways
Others, Apoptosis
Bioactivity
Apoptosis inducer 10 is a potent compound with anti-proliferative activity that induces apoptosis in HeLa (cervical cancer) cells via a mitochondria-dependent endogenous pathway.
Smiles
C[C@]12[C@@](C(C)(C)[C@H](O)CC1)(CCC(=C)[C@H]2CC/C(=C/C(=O)N3CCC(N(C)C)CC3)/C)[H]
Molecular Formula
C27H46N2O2
Molecular Weight
430.67
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Apoptosis inducer 10
CAS Number2379310-39-9
PubChem CID141759145
IUPAC Name(E)-5-[(1R,4aS,6R,8aS)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-1-[4-(dimethylamino)piperidin-1-yl]-3-methylpent-2-en-1-one
Molecular FormulaC27H46N2O2
Molecular Weight430.7
XLogP5.3
Topological Polar Surface Area43.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count31
Formal Charge0
Complexity702
SMILES
C/C(=C\C(=O)N1CCC(CC1)N(C)C)/CC[C@@H]2C(=C)CC[C@H]3[C@]2(CC[C@H](C3(C)C)O)C
InChI
InChI=1S/C27H46N2O2/c1-19(18-25(31)29-16-13-21(14-17-29)28(6)7)8-10-22-20(2)9-11-23-26(3,4)24(30)12-15-27(22,23)5/h18,21-24,30H,2,8-17H2,1,3-7H3/b19-18+/t22-,23-,24-,27+/m1/s1
InChIKey
LAMIOISISMLBHF-HHUMICFVSA-N
Chemical Structure
2D Structure
2D structure of Apoptosis inducer 10
CAS: 2379310-39-9
CID: 141759145
Formula: C27H46N2O2
MW: 430.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight430.7
XLogP35.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass430.35592871
Monoisotopic Mass430.35592871
Topological Polar Surface Area43.8 Ų
Heavy Atom Count31
Formal Charge0
Complexity702
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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