Dorzolamide HCl - 10mM in Water , Carbonic anhydrase II inhibitor, CAS No.130693-82-2, Carbonic anhydrase II inhibitor

CAS: 130693-82-2 Cat. No.: D421192 Formule: C₁₀H₁₆N₂O₄S₃·HCl Poids moléculaire: 360.9 Beilstein Registry Number: 5896026 Numéro CE: 620-304-2

GRADE & PURITY 10mM in Water

Synonyms

Dorzolomide hydrochloride | (4S,trans)-4-(ethylamino)-6-methyl-5,6-dihydro-4H-thieno(2,3-b)thiopyran-2-sulfonamide 7,7-dioxide hydrochloride | AKOS000304216 | CAS-130693-82-2 | HY-B0109A | MK 0507 | MK-0507 | Dorzolamide (hydrochloride) | DORZOLAMIDE HYDR

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Vue d’ensemble

Dorzolamide HCl is a carbonic anhydrase inhibitor.
An inhibitor of carbonic anhydrase.

Specifications

Synonymes

Dorzolomide hydrochloride | (4S,trans)-4-(ethylamino)-6-methyl-5,6-dihydro-4H-thieno(2,3-b)thiopyran-2-sulfonamide 7,7-dioxide hydrochloride | AKOS000304216 | CAS-130693-82-2 | HY-B0109A | MK 0507 | MK-0507 | Dorzolamide (hydrochloride) | DORZOLAMIDE HYDR

Spécifications et pureté

10mM in Water

Mécanismes biochimiques et physiologiques

Dorzolamide Hcl(L671152 Hcl; MK507 Hcl) is an anti glaucoma agent which is a carbonic anhydrase inhibitor. .Potent and selective carbonic anhydrase II inhibitor (IC 50 values are 0.2, 43 and 52 nM for CA II, IV and IX respectively). Decreases the product

Conditions de stockage de stockage

Store at -80°C

Expédié en

Dry ice packs + Cold packs

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Type d'action

INHIBITOR

Mécanisme d'action

Carbonic anhydrase II inhibitor

Noms et identifiants

Pubchem Sid

528773803

Sourires canoniques

CCNC1CC(S(=O)(=O)C2=C1C=C(S2)S(=O)(=O)N)C.Cl

IUPAC Name

(4S,6S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide;hydrochloride

InChIKey

OSRUSFPMRGDLAG-QMGYSKNISA-N

INCHI

1S/C10H16N2O4S3.ClH/c1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16;/h5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16);1H/t6-,8-;/m0./s1

Isomères SMILES

CCN[C@H]1C[C@@H](S(=O)(=O)C2=C1C=C(S2)S(=O)(=O)N)C.Cl

CAS alternatif

120279-96-1

Poids moléculaire

360.9

Beilstein

5896026

Reaxy-Rn

8518917

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8518917&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Thiophenes
      • Subclass 2,3,5-trisubstituted thiophenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Thiophenes
• Subclass: 2,3,5-trisubstituted thiophenes
• Intermediate Tree Nodes: Not available
• Direct Parent: 2,3,5-trisubstituted thiophenes
• Alternative Parents: Aralkylamines Thiopyrans Organosulfonamides Sulfones Heteroaromatic compounds Aminosulfonyl compounds Dialkylamines Organopnictogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 2,3,5-trisubstituted thiophene - Aralkylamine - Organosulfonic acid amide - Thiopyran - Sulfone - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Heteroaromatic compound - Secondary aliphatic amine - Secondary amine - Organic oxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Organosulfur compound - Organopnictogen compound - Organic oxide - Hydrochloride - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 2,3,5-trisubstituted thiophenes. These are organic compounds containing a thiophene that is trisubstituted at the C-2, C3- and C5-positions.
• External Descriptors: hydrochloride - organoammonium salt

Data sources

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

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Mécanismes d'action

Propriétés chimiques et physiques

• Rotation spécifique [α]: -8° (C=1,MeOH)
• Point de fusion (°C): 281 °C(dec.)
• Poids moléculaire: 360.900 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 360.004 Da
• Monoisotopic Mass: 360.004 Da
• Topological Polar Surface Area: 151.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 534.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3