Dorzolamide HCl - ≥98% , Carbonic anhydrase II inhibitor, CAS No.130693-82-2, Carbonic anhydrase II inhibitor

CAS: 130693-82-2 Cat. No.: D129824 Summenformel: C₁₀H₁₆N₂O₄S₃·HCl Molekulargewicht: 360.9 Beilstein Registry Number: 5896026 EG-Nummer: 620-304-2

GRADE & PURITY ≥98%

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 2-8°C

Shipped In

Wet ice

Übersicht

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

Specifications

Synonyme

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

Spezifikationen & Reinheit

≥98%

Biochemische und physiologische Mechanismen

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

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Aktionsart

INHIBITOR

Mechanismus der Wirkung

Carbonic anhydrase II inhibitor

Hinweis

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

504764348

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504764348

Kanonisches Lächeln

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

Isomere SMILES

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

Alternative CAS-Nummer

120279-96-1

Molekulargewicht

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
    • Klasse Thiophenes
      • Subclass 2,3,5-trisubstituted thiophenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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
• Beschreibung: 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

Zugehörige Ziele (menschlich)

POLI Tchem DNA polymerase iota (116820 Activities)

Discover Target: POLI

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

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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

GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

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

CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

Discover Target: CBX1

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

Zugehörige Ziele (nicht menschlich)

ampC Beta-lactamase AmpC (62480 Activities)

Discover Target: ampC

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

Oryctolagus cuniculus (11301 Activities)

Explore this target

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

Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in water (14 mg/ml at 25 °C), methanol, DMSO (<1 mg/ml at 25 °C), ethanol (sparingly), and DMF (sparingly).
• Spezifische Drehung [α]: -8° (C=1,MeOH)
• Schmelzpunkt (°C): 281 °C(dec.)
• Molekulargewicht: 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