ZTB23 (R)

CAT: 0804-HY-167242Size: 1 EachDry Ice: NoHazardous: No

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Description

ZTB23 (R) is a potent and selective Mycobacterium tuberculosis zinc metalloproteinase-1 (Zmp1) inhibitor with Ki value of 0.054 μM. ZTB23 (R) can be used for tuberculosis (TB) research[1].

CAS Number

306324-21-0

UNSPSC

12352005

Target

Bacterial

Type

Reference compound

Related Pathways

Anti-infection

Field of Research

Infection

Assay Protocol

https://www.medchemexpress.com/ztb23-r.html

Smiles

O=C(C1=CC=C(/C=C2SC(N(C(CC3=CC=CC=C3)C(O)=O)C/2=O)=S)C=C1)O

Molecular Formula

C20H15NO5S2

Molecular Weight

413.47

References & Citations

[1]Mori M, et al. Discovery of the first potent and selective Mycobacterium tuberculosis Zmp1 inhibitor. Bioorg Med Chem Lett. 2014 Jun 1;24 (11) :2508-11.

Shipping Conditions

Room temperature

Scientific Category

Reference compound1

Clinical Information

No Development Reported

Chemical Information

(Z)-4-((3-(1-carboxy-2-phenylethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)benzoic acid

CAS Number	306324-21-0
PubChem CID	5344055
IUPAC Name	4-[(Z)-[3-(1-carboxy-2-phenylethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoic acid
Molecular Formula	C20H15NO5S2
Molecular Weight	413.5
XLogP	4.1
Topological Polar Surface Area	152
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Heavy Atom Count	28
Formal Charge	0
Complexity	678

SMILES

C1=CC=C(C=C1)CC(C(=O)O)N2C(=O)/C(=C/C3=CC=C(C=C3)C(=O)O)/SC2=S

InChI

InChI=1S/C20H15NO5S2/c22-17-16(11-13-6-8-14(9-7-13)18(23)24)28-20(27)21(17)15(19(25)26)10-12-4-2-1-3-5-12/h1-9,11,15H,10H2,(H,23,24)(H,25,26)/b16-11-

InChIKey

HXKDFHZVIKNBSQ-WJDWOHSUSA-N

Chemical Structure

2D Structure

CAS: 306324-21-0

CID: 5344055

Formula: C20H15NO5S2

MW: 413.5

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	413.5
XLogP3	4.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Exact Mass	413.03916493
Monoisotopic Mass	413.03916493
Topological Polar Surface Area	152 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	678
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
MBS5774150	ZTB23(R)
GTR19200004-01	ZTB23 (R)

ZTB23 (R)

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