MMP3 inhibitor 1

CAT: 0804-HY-114418-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-114418-01Size:1 mg

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Description

MMP3 inhibitor 1 is a potent and highly selective MMP-3 inhibitor with an IC50 of 1 nM[1].

CAS Number

312930-75-9

UNSPSC

12352005

Target

MMP

Type

Reference compound

Related Pathways

Metabolic Enzyme/Protease

Applications

Cancer-Kinase/protease

Field of Research

Cancer

Assay Protocol

https://www.medchemexpress.com/MMP3__inhibitor_1.html

Purity

99.03

Solubility

DMSO : 100 mg/mL (ultrasonic)

Smiles

CC1=CC(C2CCN(S(C(C)(C)C(NO)=O)(=O)=O)CC2)=CC=C1C3=NC(OCCO)=CC=C3

Molecular Formula

C23H31N3O6S

Molecular Weight

477.57

References & Citations

[1]Whitlock GA, et al. A novel series of highly selective inhibitors of MMP-3. Bioorg Med Chem Lett. 2007 Dec 15;17 (24) :6750-3.

Shipping Conditions

Room Temperature

Storage Conditions

-20°C, 3 years; 4°C, 2 years (Powder)

Scientific Category

Reference compound1

Clinical Information

No Development Reported

Isoform

MMP-1; MMP-14; MMP-2; MMP-3; MMP-9

Chemical Information

MMP3 inhibitor 1

CAS Number	312930-75-9
PubChem CID	9956699
IUPAC Name	N-hydroxy-2-[4-[4-[6-(2-hydroxyethoxy)-2-pyridinyl]-3-methylphenyl]piperidin-1-yl]sulfonyl-2-methylpropanamide
Molecular Formula	C23H31N3O6S
Molecular Weight	477.6
XLogP	1.8
Topological Polar Surface Area	137
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	8
Heavy Atom Count	33
Formal Charge	0
Complexity	748

SMILES

CC1=C(C=CC(=C1)C2CCN(CC2)S(=O)(=O)C(C)(C)C(=O)NO)C3=NC(=CC=C3)OCCO

InChI

InChI=1S/C23H31N3O6S/c1-16-15-18(7-8-19(16)20-5-4-6-21(24-20)32-14-13-27)17-9-11-26(12-10-17)33(30,31)23(2,3)22(28)25-29/h4-8,15,17,27,29H,9-14H2,1-3H3,(H,25,28)

InChIKey

YVBOXQAMDNUBQA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 312930-75-9

CID: 9956699

Formula: C23H31N3O6S

MW: 477.6

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	477.6
XLogP3	1.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	8
Exact Mass	477.19335689
Monoisotopic Mass	477.19335689
Topological Polar Surface Area	137 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	748
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

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