CBR-6672

CAT: 0804-HY-145986Size: 1 EachDry Ice: NoHazardous: No

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CAT#:0804-HY-145986Size:1 Each

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Description

CBR-6672 is a mycobacterium tuberculosis (Mtb) type II NADH dehydrogenase inhibitor, with the MIC of 0.14 μM against Mtb[1].

CAS Number

2225885-40-3

UNSPSC

12352005

Target

Bacterial

Type

Reference compound

Related Pathways

Anti-infection

Applications

COVID-19-immunoregulation

Field of Research

Infection

Assay Protocol

https://www.medchemexpress.com/cbr-6672.html

Solubility

10 mM in DMSO

Smiles

O=C1N=C(NC2=C1C(F)=CC=C2)SCC(NC3CCCCCC3)=O

Molecular Formula

C17H20FN3O2S

Molecular Weight

349.42

References & Citations

[1]Harbut MB, et, al. Small Molecules Targeting Mycobacterium tuberculosis Type II NADH Dehydrogenase Exhibit Antimycobacterial Activity. Angew Chem Int Ed Engl. 2018 Mar 19;57 (13) :3478-3482.

Shipping Conditions

Room temperature

Scientific Category

Reference compound1

Clinical Information

No Development Reported

Chemical Information

N-cycloheptyl-2-[(5-fluoro-4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide

CAS Number	2225885-40-3
PubChem CID	163322339
IUPAC Name	N-cycloheptyl-2-[(5-fluoro-4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide
Molecular Formula	C17H20FN3O2S
Molecular Weight	349.4
XLogP	3.4
Topological Polar Surface Area	95.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	24
Formal Charge	0
Complexity	506

SMILES

C1CCCC(CC1)NC(=O)CSC2=NC3=C(C(=CC=C3)F)C(=O)N2

InChI

InChI=1S/C17H20FN3O2S/c18-12-8-5-9-13-15(12)16(23)21-17(20-13)24-10-14(22)19-11-6-3-1-2-4-7-11/h5,8-9,11H,1-4,6-7,10H2,(H,19,22)(H,20,21,23)

InChIKey

LBLDGQIQXAQRNS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2225885-40-3

CID: 163322339

Formula: C17H20FN3O2S

MW: 349.4

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	349.4
XLogP3	3.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	349.12602622
Monoisotopic Mass	349.12602622
Topological Polar Surface Area	95.9 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	506
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
HY-142658-01	BAY-6672
HY-142658A-01	BAY-6672 (hydrochloride)
HY-100012-01	CBR-5884
HY-145985	CBR-3465
HY-151107	CBR Agonist-2
HY-134205A-01	CBR-470-1
HY-134001-01	CBR-470-2
HY-151105	CBR Agonist-1
HY-117485	CBR-096-4
HY-111064	BX 667

Alternative Products

Catalog	Name
T61192-01	CBR-6672
MBS5800173	BAY-6672
GTR19221413-01	BAY-6672 hydrochloride
407370	CBR-5884
T26963	CBR-2092
T61035-01	CBR-3465
ABC-TC0608	LS-CBR
ABC-TC0409	HS1-CBR
ABC-TC0033	A64-CBR

CBR-6672

Chemical Information

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