ABT-510 (acetate)

CAT: 0804-HY-13545B-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-13545B-01Size:5 mg

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Description

ABT-510 acetate is an anti-angiogenic TSP peptide (Thrombospondin-1 analogue) that induces apoptosis and inhibits ovarian tumour growth in an orthotopic, syngeneic model of epithelial ovarian cancer. ABT-510 acetate also reduces angiogenesis and inflammatory responses in a murine model of inflammatory bowel disease. ABT-510 acetate can be used in studies of cancer (particularly epithelial ovarian cancer) and inflammatory bowel disease (IBD) [1][2].

CAS Number

442526-87-6

UNSPSC

12352209

Hazard Statement

H302, H315, H319, H335

Target

Apoptosis

Type

Peptides

Related Pathways

Apoptosis

Applications

COVID-19-immunoregulation

Field of Research

Cancer; Inflammation/Immunology

Assay Protocol

https://www.medchemexpress.com/abt-510-acetate.html

Purity

99.61

Solubility

10 mM in DMSO

Smiles

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

Molecular Formula

C48H87N13O13

Molecular Weight

1054.28

Precautions

H302, H315, H319, H335

References & Citations

[1]Greenaway J, et.al. ABT-510 induces tumor cell apoptosis and inhibits ovarian tumor growth in an orthotopic, syngeneic model of epithelial ovarian cancer. Mol Cancer Ther. 2009 Jan;8 (1) :64-74. |[2]Punekar S, et.al. Thrombospondin 1 and its mimetic peptide ABT-510 decrease angiogenesis and inflammation in a murine model of inflammatory bowel disease. Pathobiology. 2008;75 (1) :9-21. |[3]Isenberg JS, et.al. Differential effects of ABT-510 and a CD36-binding peptide derived from the type 1 repeats of thrombospondin-1 on fatty acid uptake, nitric oxide signaling, and caspase activation in vascular cells. Biochem Pharmacol. 2008 Feb 15;75 (4) :875-82.

Shipping Conditions

Blue Ice

Storage Conditions

-80°C, 2 years; -20°C, 1 year (Powder, sealed storage, away from moisture and light, under nitrogen)

Scientific Category

Peptides

Clinical Information

Phase 2

Chemical Information

ABT-510 acetate

CAS Number	442526-87-6
PubChem CID	131634721
IUPAC Name	acetic acid;(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2R,3S)-2-[[(2S)-2-[[2-[[2-[acetyl(methyl)amino]acetyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]pentanoyl]amino]-3-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]-N-ethylpyrrolidine-2-carboxamide
Molecular Formula	C48H87N13O13
Molecular Weight	1054.3
Topological Polar Surface Area	395
Hydrogen Bond Donor Count	12
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	30
Heavy Atom Count	74
Formal Charge	0
Complexity	1860

SMILES

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

InChI

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

InChIKey

VNYUZURIJSGETB-WVDYPPGZSA-N

Chemical Structure

2D Structure

CAS: 442526-87-6

CID: 131634721

Formula: C48H87N13O13

MW: 1054.3

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	1054.3
Hydrogen Bond Donor Count	12
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	30
Exact Mass	1053.65462988
Monoisotopic Mass	1053.65462988
Topological Polar Surface Area	395 Å²
Heavy Atom Count	74
Formal Charge	0
Complexity	1860
Isotope Atom Count	0
Defined Atom Stereocenter Count	10
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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ABT-510 (acetate)

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