Clobenpropit dihydrobromide - ≥99% , CAS No.145231-35-2

CAS: 145231-35-2 Cat. No.: C275050 분자식: C₁₄H₁₇ClN₄S.2HBr 분자량: 470.65 PubChem CID: 11213569

GRADE & PURITY ≥99%

Synonyms

Clobenpropit dihydrobromide, solid | Clobenpropit Dihydrobromide, VUF 9153 | J-008075 | FT-0738359 | HSCI1_000063 | N-[(4-chlorophenyl)methyl]-3-(1H-imidazol-5-yl)propyl ester, carbamimidothioic acid, dihydrobromide | BCP33039 | STK720179 | AKOS037647806

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

Product Describtion:

Clobenpropit dihydrobromide is a potent histamine H3R antagonist/inverse agonist with a pEC50 of 8.07 for histamine H3LR. Clobenpropit dihydrobromide acts as partial agonist at histamine H4 receptors (Ki 13 nM). Clobenpropit dihydrobromide also binds to serotonin 5-HT3 receptors (Ki 7.4 nM) and α2A/α2C adrenoceptors (Ki 17.4/7.8 nM). Clobenpropit dihydrobromide increases apoptosis.

Specifications

동의어

Clobenpropit dihydrobromide, solid | Clobenpropit Dihydrobromide, VUF 9153 | J-008075 | FT-0738359 | HSCI1_000063 | N-[(4-chlorophenyl)methyl]-3-(1H-imidazol-5-yl)propyl ester, carbamimidothioic acid, dihydrobromide | BCP33039 | STK720179 | AKOS037647806

사양 및 순도

≥99%

생화학 및 생리적 메커니즘

Selective and competitive H 3 antagonist (pK i = 8.5). Partial agonist at H 4 receptor (EC 50 = 3 nM) Blood-brain barrier permeable.

출처

Synthetic

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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참고

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.

순수함

≥99%

이름과 식별자

• Pubchem Sid: 504766166
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766166
• 정식 스마일: C1=CC(=CC=C1CN=C(N)SCCCC2=CN=CN2)Cl.Br.Br
• IUPAC Name: 3-(1H-imidazol-5-yl)propyl N'-[(4-chlorophenyl)methyl]carbamimidothioate;dihydrobromide
• InChIKey: JIJQPEZAVLJZBO-UHFFFAOYSA-N
• INCHI: 1S/C14H17ClN4S.2BrH/c15-12-5-3-11(4-6-12)8-18-14(16)20-7-1-2-13-9-17-10-19-13;;/h3-6,9-10H,1-2,7-8H2,(H2,16,18)(H,17,19);2*1H
• 이성체 SMILES: C1=CC(=CC=C1CN=C(N)SCCCC2=CN=CN2)Cl.Br.Br
• PubChem CID: 11213569
• 분자량: 470.65

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Chlorobenzenes
• Alternative Parents: Aryl chlorides Imidazoles Heteroaromatic compounds Isothioureas Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Carboximidamides Azacyclic compounds Organopnictogen compounds Organochlorides Hydrocarbon derivatives Hydrobromides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Chlorobenzene - Aryl chloride - Aryl halide - Azole - Heteroaromatic compound - Imidazole - Isothiourea - Azacycle - Organoheterocyclic compound - Carboximidamide - Sulfenyl compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Organonitrogen compound - Organosulfur compound - Organopnictogen compound - Hydrocarbon derivative - Hydrobromide - Aromatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.
• External Descriptors: hydrobromide

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

화학 및 물리적 특성

• 용해성: 30 mg/ml in DMSO, 2.5 mg/ml in Ethanol, 20 mg/ml in water
• 감도: Heat Sensitive
• 녹는점(°C): 205 °C
• 분자량: 470.700 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 469.937 Da
• Monoisotopic Mass: 467.939 Da
• Topological Polar Surface Area: 92.400 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 306.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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: 3

XLogP3

자주 묻는 질문

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 145231-35-2, the molecular formula is C14H19Br2ClN4S, and the molecular weight is 470.65 g/mol. InChIKey JIJQPEZAVLJZBO-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.