Ombrabulin

CAT: 0804-HY-14797-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-14797-02Size:10 mg

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Description

Ombrabulin (AVE8062) is a derivative of CA-4 phosphate, which is known to exhibit antivascular effects through selective disruption of the tubulin cytoskeleton of endothelial cells.

CAS Number

181816-48-8

Product Name Alternative

AVE8062; AC7700

UNSPSC

12352005

Target

Microtubule/Tubulin

Type

Reference compound

Related Pathways

Cell Cycle/DNA Damage; Cytoskeleton

Applications

Cancer-programmed cell death

Field of Research

Cancer; Cardiovascular Disease

Assay Protocol

https://www.medchemexpress.com/Ombrabulin.html

Purity

98.53

Solubility

DMSO : 100 mg/mL (ultrasonic)

Smiles

O=C(NC1=CC(/C=C\C2=CC(OC)=C(OC)C(OC)=C2)=CC=C1OC)[C@@H](N)CO

Molecular Formula

C21H26N2O6

Molecular Weight

402.44

References & Citations

[1]Kim TJ, et al. Antitumor and antivascular effects of AVE8062 in ovarian carcinoma. Cancer Res. 2007 Oct 1;67 (19) :9337-45.

Shipping Conditions

Room Temperature

Storage Conditions

-20°C, 3 years; 4°C, 2 years (Powder)

Scientific Category

Reference compound1

Clinical Information

Phase 3

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 Number	181816-48-8
PubChem CID	6918405
IUPAC Name	(2S)-2-amino-3-hydroxy-N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]propanamide
Molecular Formula	C21H26N2O6
Molecular Weight	402.4
XLogP	2.2
Topological Polar Surface Area	112
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	9
Heavy Atom Count	29
Formal Charge	0
Complexity	517

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

CAS: 181816-48-8

CID: 6918405

Formula: C21H26N2O6

MW: 402.4

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	402.4
XLogP3	2.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	9
Exact Mass	402.17908655
Monoisotopic Mass	402.17908655
Topological Polar Surface Area	112 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	517
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
MBS130045-01	Ombrabulin
DKA42624-01	Ombrabulin hydrochloride
A12654-50	Ombrabulin 50mg
A12654-10	Ombrabulin 10mg
A12654-5	Ombrabulin 5mg
200380	Ombrabulin HCl
A12654-25	Ombrabulin 25mg
A21040-10	Ombrabulin hydrochloride 10mg
A21040-50	Ombrabulin hydrochloride 50mg
A21040-100	Ombrabulin hydrochloride 100mg

Ombrabulin

Chemical Information

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