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Ombrabulin

CAT: 0013-GTR19153644-02Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19153644-02Size:250 mg
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Description
Ombrabulin (AVE8062) hydrochloride is a synthetic derivative of CA-4-P, which inhibits growth in a large number of drug-resistant animal tumors and carcinogen-induced tumors.
CAS Number
181816-48-8
Purity
>98%
Smiles
COC1=C (C=C (C=C1) /C=C\C2=CC (=C (C (=C2) OC) OC) OC) NC (=O) [C@H] (CO) N
Molecular Formula
C21H26N2O6
Molecular Weight
402.44
Notes
For research use only.

Chemical Information

Ombrabulin

Ombrabulin has been used in trials studying the treatment of Sarcoma, Neoplasms, Solid Tumor, Neoplasms, Malignant, and Advanced Solid Tumors, among others.

CAS Number181816-48-8
PubChem CID6918405
IUPAC Name(2S)-2-amino-3-hydroxy-N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]propanamide
Molecular FormulaC21H26N2O6
Molecular Weight402.4
XLogP2.2
Topological Polar Surface Area112
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Heavy Atom Count29
Formal Charge0
Complexity517
SMILES
COC1=C(C=C(C=C1)/C=C\C2=CC(=C(C(=C2)OC)OC)OC)NC(=O)[C@H](CO)N
InChI
InChI=1S/C21H26N2O6/c1-26-17-8-7-13(9-16(17)23-21(25)15(22)12-24)5-6-14-10-18(27-2)20(29-4)19(11-14)28-3/h5-11,15,24H,12,22H2,1-4H3,(H,23,25)/b6-5-/t15-/m0/s1
InChIKey
IXWNTLSTOZFSCM-YVACAVLKSA-N
Chemical Structure
2D Structure
2D structure of Ombrabulin
CAS: 181816-48-8
CID: 6918405
Formula: C21H26N2O6
MW: 402.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight402.4
XLogP32.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Exact Mass402.17908655
Monoisotopic Mass402.17908655
Topological Polar Surface Area112 Ų
Heavy Atom Count29
Formal Charge0
Complexity517
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA4248-5Ombrabulin
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A12654-50Ombrabulin 50mg
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200380Ombrabulin HCl
A12654-25Ombrabulin 25mg
A21040-10Ombrabulin hydrochloride 10mg
A21040-50Ombrabulin hydrochloride 50mg

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