Name: MMP-9/MMP-13 inhibitor I - ≥95% , CAS No.204140-01-2
Brand: Aladdin Scientific
SKU: M338118
Availability: InStock

MMP-9/MMP-13 inhibitor I - ≥95% , CAS No.204140-01-2

CAS: 204140-01-2 Cat. No.: M338118 Molecular Weight: 495.55

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MMP-9/MMP-13 inhibitor I - ≥95% CAS No(204140-01-2) by Aladdin Scientific

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AVAILABLE TO ORDER

GRADE & PURITY ≥95%

Synonyms

N-Hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(4-biphenylcarbonyl)piperazine-2-carboxamide

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview Specifications Product Properties Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solution Calculators Reviews

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Why this grade

≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

MMP-9/MMP-13 Inhibitor I is a piperazine-based, cell-permeable, and highly potent inhibitor of MMP-9 (IC|50|= 900 pM) and MMP-13 (IC|50|= 900 pM). Reported to inhibit MMP-1 and MMP-3 at much higher concentrations (IC|50|= 43 nM and 23 nM, respectively). Also acts as an inhibitor of MMP-7 (IC|50|= 930 nM).

Specifications

Synonyms

N-Hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(4-biphenylcarbonyl)piperazine-2-carboxamide

Specifications & Purity

≥95%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Purity

≥95%

Product Properties

pKa	pKₐ: 9.38 (Predicted)

Names and Identifiers

Canonical Smiles	COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2C(=O)NO)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4
IUPAC Name	N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(4-phenylbenzoyl)piperazine-2-carboxamide
InChIKey	KXZZWRQJKQVMKR-UHFFFAOYSA-N
INCHI	1S/C25H25N3O6S/c1-34-21-11-13-22(14-12-21)35(32,33)28-16-15-27(17-23(28)24(29)26-31)25(30)20-9-7-19(8-10-20)18-5-3-2-4-6-18/h2-14,23,31H,15-17H2,1H3,(H,26,29)
Isomeric SMILES	COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2C(=O)NO)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4
Molecular Weight	495.55
Reaxy-Rn	8590286
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8590286&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Biphenyls and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Biphenyls and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Biphenyls and derivatives
Alternative Parents	Alpha amino acids and derivatives Benzenesulfonamides Piperazine carboxamides Benzenesulfonyl compounds Benzamides Phenoxy compounds Methoxybenzenes Anisoles Benzoyl derivatives Alkyl aryl ethers Organosulfonamides Tertiary carboxylic acid amides Sulfonyls Hydroxamic acids Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Biphenyl - Alpha-amino acid or derivatives - Benzenesulfonamide - Benzenesulfonyl group - Benzamide - Benzoic acid or derivatives - Piperazine-2-carboxamide - Phenoxy compound - Anisole - Methoxybenzene - Benzoyl - Phenol ether - Alkyl aryl ether - Organosulfonic acid amide - 1,4-diazinane - Piperazine - Tertiary carboxylic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Hydroxamic acid - Carboxamide group - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

3D Structure

Associated Targets(Human)

MMP1 Tchem Interstitial collagenase (1 Activities)

Discover Target: MMP1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

MMP7 Tchem Matrilysin (1 Activities)

Discover Target: MMP7

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

MMP13 Tchem Collagenase 3 (2 Activities)

Discover Target: MMP13

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

MMP9 Tchem Matrix metalloproteinase-9 (1 Activities)

Discover Target: MMP9

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

MMP3 Tchem Stromelysin-1 (2 Activities)

Discover Target: MMP3

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

MMP3 Tchem Matrix metalloproteinase 3 (3433 Activities)

Discover Target: MMP3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MMP7 Tchem Matrix metalloproteinase 7 (1073 Activities)

Discover Target: MMP7

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MMP1 Tchem Matrix metalloproteinase-1 (7046 Activities)

Discover Target: MMP1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Mmp13 Matrix metalloproteinase 13 (19 Activities)

Discover Target: Mmp13

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mmp9 Matrix metalloproteinase 9 (38 Activities)

Discover Target: Mmp9

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Plasmodium falciparum (966862 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Solubility	Soluble in DMSO (100 mg/ml), and methanol (1 mg/ml).
Refractive Index	n20D1.64 (Predicted)
Boil Point(°C)	765.98° C (Predicted)
Melt Point(°C)	336.84° C (Predicted)
Molecular Weight	495.500 g/mol
XLogP3	2.500
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Exact Mass	495.146 Da
Monoisotopic Mass	495.146 Da
Topological Polar Surface Area	125.000 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	825.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Solution Calculators

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Reviews

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