TAPI 0

CAT: 1410-M30787Size: 1 EachDry Ice: NoHazardous: No

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CAT#:1410-M30787Size:1 Each

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Description

ADAM-17 (TACE) and MMP inhibitor; attenuates TNF-α processing. Acts in concert with GM6001 to inhibit Chlamydia trachomatis growth.

CAS Number

163958-73-4

Stability

≥ 2 years

Purity

>98% (HPLC)

Weight

456.54

Molecular Formula

C24H32N4O5

Notes

Research use only, not for human use.

Receptor

——

Chemical Information

Tapi-0

CAS Number	163958-73-4
PubChem CID	9955704
IUPAC Name	(2R)-N-[(2S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide
Molecular Formula	C24H32N4O5
Molecular Weight	456.5
XLogP	1.9
Topological Polar Surface Area	151
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	11
Heavy Atom Count	33
Formal Charge	0
Complexity	698

SMILES

C[C@@H](C(=O)N)NC(=O)[C@H](CC1=CC2=CC=CC=C2C=C1)NC(=O)[C@H](CC(C)C)CC(=O)NO

InChI

InChI=1S/C24H32N4O5/c1-14(2)10-19(13-21(29)28-33)23(31)27-20(24(32)26-15(3)22(25)30)12-16-8-9-17-6-4-5-7-18(17)11-16/h4-9,11,14-15,19-20,33H,10,12-13H2,1-3H3,(H2,25,30)(H,26,32)(H,27,31)(H,28,29)/t15-,19+,20-/m0/s1

InChIKey

CRCPLBFLOSEABN-BEVDRBHNSA-N

Chemical Structure

2D Structure

CAS: 163958-73-4

CID: 9955704

Formula: C24H32N4O5

MW: 456.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	456.5
XLogP3	1.9
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	11
Exact Mass	456.23727013
Monoisotopic Mass	456.23727013
Topological Polar Surface Area	151 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	698
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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