KH 7 - Moligand™, ≥98% , Inhibitor of adenylyl cyclase 10, CAS No.330676-02-3, Inhibitor of adenylyl cyclase 10

CAS: 330676-02-3 Cat. No.: K287947 Molecular Weight: 419.3 EC Number: 633-023-5

GRADE & PURITY Moligand™, ≥98%

Synonyms

1613631-72-3 | ( inverted exclamation markA)-2-(1H-benziMidazol-2-ylthio)propanoicacid2-[(5-broMo-2-hydroxyphenyl)Methylene]hydrazide | HMS3648I20 | 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]propanamide | 2-(1H-benz

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

KH7 has been used: as a soluble adenyl cyclase (sAC) antagonist to study its effect on the signaling pathway mediated by the action of transient receptor type 1 (TRPV1) in sperm cells. as a selective sAC antagonist to study its effect on the signaling pathway of proton gated channels (HV1) induced action in sperm cells. as a sAC inhibitor to study its effects on cAMP increase in monophosphorylated myosin light chain (pMLC).

Specifications

Synonyms

1613631-72-3 | ( inverted exclamation markA)-2-(1H-benziMidazol-2-ylthio)propanoicacid2-[(5-broMo-2-hydroxyphenyl)Methylene]hydrazide | HMS3648I20 | 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]propanamide | 2-(1H-benz

Specifications & Purity

Moligand™, ≥98%

Biochemical and Physiological Mechanisms

KH7 is a selective inhibitor of soluble adenylyl cyclase. Soluble adenylyl cyclase (sAC) is an ubiquitously expressed, essential component of cAMP-signaling.

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.

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of adenylyl cyclase 10

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504773360
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504773360
• Canonical Smiles: CC(C(=O)NN=CC1=C(C=CC(=C1)Br)O)SC2=NC3=CC=CC=C3N2
• IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]propanamide
• InChIKey: WILMXUAKQKGGCC-DJKKODMXSA-N
• INCHI: 1S/C17H15BrN4O2S/c1-10(25-17-20-13-4-2-3-5-14(13)21-17)16(24)22-19-9-11-8-12(18)6-7-15(11)23/h2-10,23H,1H3,(H,20,21)(H,22,24)/b19-9+
• Isomeric SMILES: CC(C(=O)N/N=C/C1=C(C=CC(=C1)Br)O)SC2=NC3=CC=CC=C3N2
• Molecular Weight: 419.3
• Reaxy-Rn: 22554258
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22554258&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzimidazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzimidazoles
• Alternative Parents: P-bromophenols Bromobenzenes Alkylarylthioethers 1-hydroxy-2-unsubstituted benzenoids Azines Aryl bromides Imidazoles Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzimidazole - 4-halophenol - 4-bromophenol - Aryl thioether - Halobenzene - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Bromobenzene - Alkylarylthioether - Benzenoid - Aryl halide - Aryl bromide - Monocyclic benzene moiety - Azine - Imidazole - Heteroaromatic compound - Azole - Azacycle - Sulfenyl compound - Thioether - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organonitrogen compound - Organohalogen compound - Organobromide - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).
• External Descriptors: Not available

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

Associated Targets(Human)

ADCY10 Tchem Adenylate cyclase type 10 (0 Activities)

Discover Target: ADCY10

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

Chemical and Physical Properties

• Solubility: Solvent:DMSO, Max Conc. mg/mL: 41.93, Max Conc. mM: 100
• Molecular Weight: 419.300 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 418.01 Da
• Monoisotopic Mass: 418.01 Da
• Topological Polar Surface Area: 116.000 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 495.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1