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

CAS: 204140-01-2 Cat. No.: M338118 Peso molecular: 495.55
COA
MMP-9/MMP-13 inhibitor I - ≥95% CAS No(204140-01-2) by Aladdin Scientific
Disponible para pedir
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
★
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
1mg
M338118-1mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
237,90US$
5mg
M338118-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
732,90US$
Enter a quantity for the sizes you want to add.
Bulk / Custom
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SDS
Safety data
COA
Certificate
DS
Datasheet
SP
Spec sheet
Descripción general Specifications Propiedades del producto Nombres e identificadores Documentation Advanced Data Taxonomic Classification Estructura 3D Objetivos asociados (humanos) Objetivos asociados (no humanos) Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Calculadoras de soluciones Reseñas
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Why this grade

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

🌡

Storage & shipping

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

📋

Quality documents

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

📚

Literature proof

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

Descripción general

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

Sinónimos
N-Hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(4-biphenylcarbonyl)piperazine-2-carboxamide
Especificaciones y pureza
≥95%
Condiciones de almacenamiento de almacenamiento
Store at -20°C
Enviado en
Ice chest + Ice pads
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Tipo de acción
INHIBITOR
Pureza
≥95%
Propiedades del producto
pKapKₐ: 9.38 (Predicted)
Nombres e identificadores
Sonrisas canónicasCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2C(=O)NO)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4
IUPAC NameN-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(4-phenylbenzoyl)piperazine-2-carboxamide
InChIKeyKXZZWRQJKQVMKR-UHFFFAOYSA-N
INCHI1S/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)
Isómeros SMILES COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2C(=O)NO)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4
Peso molecular 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

KingdomOrganic compounds
SuperclassBenzenoids
ClaseBenzene and substituted derivatives
SubclassBiphenyls and derivatives
Intermediate Tree Nodes Not available
Direct ParentBiphenyls 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 FrameworkAromatic 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
DescripciónThis 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
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
MMP1 Tchem Interstitial collagenase (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
MMP7 Tchem Matrilysin (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
MMP13 Tchem Collagenase 3 (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
MMP9 Tchem Matrix metalloproteinase-9 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
MMP3 Tchem Stromelysin-1 (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
MMP3 Tchem Matrix metalloproteinase 3 (3433 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MMP7 Tchem Matrix metalloproteinase 7 (1073 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MMP1 Tchem Matrix metalloproteinase-1 (7046 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Objetivos asociados (no humanos)
Mmp13 Matrix metalloproteinase 13 (19 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mmp9 Matrix metalloproteinase 9 (38 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
SolubilidadSoluble in DMSO (100 mg/ml), and methanol (1 mg/ml).
Índice de refracciónn20D1.64 (Predicted)
Punto de ebullición (°C)765.98° C (Predicted)
Punto de fusión (°C)336.84° C (Predicted)
Peso molecular495.500 g/mol
XLogP32.500
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass495.146 Da
Monoisotopic Mass495.146 Da
Topological Polar Surface Area125.000 Ų
Heavy Atom Count35
Formal Charge0
Complexity825.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculadoras de soluciones
Reseñas

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