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Details

Stereochemistry ABSOLUTE
Molecular Formula C46H83N13O11.C2H4O2
Molecular Weight 1054.2856
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ABT-510 ACETATE

SMILES

CC(O)=O.CCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)CN(C)C(C)=O)C(C)C)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)NCC

InChI

InChIKey=VNYUZURIJSGETB-WVDYPPGZSA-N
InChI=1S/C46H83N13O11.C2H4O2/c1-12-18-30(39(64)55-36(26(7)13-2)42(67)53-31(19-16-21-50-46(47)48)45(70)59-22-17-20-32(59)40(65)49-15-4)52-44(69)38(28(9)60)57-43(68)37(27(8)14-3)56-41(66)35(25(5)6)54-33(62)23-51-34(63)24-58(11)29(10)61;1-2(3)4/h25-28,30-32,35-38,60H,12-24H2,1-11H3,(H,49,65)(H,51,63)(H,52,69)(H,53,67)(H,54,62)(H,55,64)(H,56,66)(H,57,68)(H4,47,48,50);1H3,(H,3,4)/t26-,27-,28+,30-,31-,32-,35-,36-,37+,38-;/m0./s1

HIDE SMILES / InChI

Molecular Formula C46H83N13O11
Molecular Weight 994.2335
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 10 / 10
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula C2H4O2
Molecular Weight 60.052
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description

ABT-510 is an anti-angiogenesis compound that was under development by Abbott for the treatment of solid tumours, lymphoma and melanoma. It is a synthetic peptide that mimics the anti-angiogenic activity of the endogenous protein thrombospondin-1 (TSP-1). ABT-510 inhibits the actions of several pro-angiogenic growth factors important to tumor neovascularization; these pro-angiogenic growth factors include vascular endothelial growth factor (VEGF), basic fibroblast growth factor (bFGF)), hepatocyte growth factor (HGF), and interleukin 8 (IL-8).

Originator

Approval Year

PubMed

Sample Use Guides

In Vivo Use Guide
Advanced cancer: Patients were randomly assigned to 1 of 6 dosing regimens: 20 mg, 50 mg, or 100 mg QD or 10 mg, 25 mg, or 50 mg twice daily. ABT-510 was administered by subcutaneous bolus injection in cycles of 28 days.
Route of Administration: Parenteral
In Vitro Use Guide
ABT-510 treatment of primary human brain MvEC propagated as a monolayer on type I collagen for 18 h in reduced serum (2% FBS) induced apoptosis in a dose-dependent manner (25–100 nM) that was maximal at 100 nM. The significantly elevated (3-fold) cleavage of a caspase-3 substrate, poly (ADP-ribose) polymerase (PARP) in human brain MvEC treated with 50 or 100 nM ABT-510 for 18 h (3-fold) confirmed that ABT-510 acts to inhibit MvEC through an apoptotic mechanism.
Substance Class Chemical
Record UNII
X1616TFEWT
Record Status FAILED
Record Version