Apstatin

CAT: 0931-T88591-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0931-T88591-02Size:50 mg

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CAS Number

160470-73-5

Target

Aminopeptidase

Related Pathways

Metabolism

Bioactivity

Apstatin is an effective inhibitor of aminopeptidase P (APP), exhibiting Ki values of 2.6 μM for rat APP and 0.64 μM for human APP. Additionally, Apstatin has cardioprotective properties.

Smiles

C(=O)([C@H]1N(C([C@H]([C@@H](CC2=CC=CC=C2)N)O)=O)CCC1)N3[C@H](C(N[C@H](C(N)=O)C)=O)CCC3

Molecular Formula

C23H33N5O5

Molecular Weight

459.54

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Apstatin

inhibits aminopeptidase P; structure given in first source

CAS Number	160470-73-5
PubChem CID	447280
IUPAC Name	(2S)-1-[(2S)-1-[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoyl]pyrrolidine-2-carbonyl]-N-[(2S)-1-amino-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
Molecular Formula	C23H33N5O5
Molecular Weight	459.5
XLogP	-0.5
Topological Polar Surface Area	159
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	8
Heavy Atom Count	33
Formal Charge	0
Complexity	741

SMILES

C[C@@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](CC3=CC=CC=C3)N)O

InChI

InChI=1S/C23H33N5O5/c1-14(20(25)30)26-21(31)17-9-5-11-27(17)22(32)18-10-6-12-28(18)23(33)19(29)16(24)13-15-7-3-2-4-8-15/h2-4,7-8,14,16-19,29H,5-6,9-13,24H2,1H3,(H2,25,30)(H,26,31)/t14-,16+,17-,18-,19-/m0/s1

InChIKey

YVUUZAPYLPWFHE-HXFGRODQSA-N

Chemical Structure

2D Structure

CAS: 160470-73-5

CID: 447280

Formula: C23H33N5O5

MW: 459.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	459.5
XLogP3	-0.5
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	8
Exact Mass	459.24816917
Monoisotopic Mass	459.24816917
Topological Polar Surface Area	159 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	741
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
BML-PI145-0001	Apstatin
HY-128090A-01	Apstatin (TFA)
BIA0231	Apstatin hydrochloride
GTR19249492-01	Apstatin TFA

Apstatin

Chemical Information

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