BIBO3304 - Moligand™, ≥98% , Antagonist of Y 1 receptor, CAS No.191868-13-0, Antagonist of Y 1 receptor

CAS: 191868-13-0 Cat. No.: B608059 분자식: C₂₉H₃₅N₇O₃ 분자량: 529.6

GRADE & PURITY Moligand™, ≥98%

Synonyms

(R)-2-(2,2-Diphenylacetamido)-5-guanidino-N-(4-(ureidomethyl)benzyl)pentanamide | BIBO3304 | BENZENEACETAMIDE, N-((1R)-1-((((4-(((AMINOCARBONYL)AMINO)METHYL)PHENYL)METHYL)AMINO)CARBONYL)-4-((AMINOIMINOMETHYL)AMINO)BUTYL)-.ALPHA.-PHENYL- | BENZENEACETAMIDE

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

BIBO3304 is a nonpeptide neuropeptide Y Y1 receptor antagonist. BIBO3304 displays subnanomolar affinity for both the human and the rat Y1 receptor, with IC50 values of 0.38 nM and 0.72 nM, respectively. BIBO3304 significantly inhibits food intake induced by application of NPY or by fasting.

Specifications

동의어

(R)-2-(2,2-Diphenylacetamido)-5-guanidino-N-(4-(ureidomethyl)benzyl)pentanamide | BIBO3304 | BENZENEACETAMIDE, N-((1R)-1-((((4-(((AMINOCARBONYL)AMINO)METHYL)PHENYL)METHYL)AMINO)CARBONYL)-4-((AMINOIMINOMETHYL)AMINO)BUTYL)-.ALPHA.-PHENYL- | BENZENEACETAMIDE

사양 및 순도

Moligand™, ≥98%

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

이 제품은 콜드 체인 배송이 필요합니다.지상 및 기타 경제 서비스는 사용할 수 없습니다.

등급

Moligand™

작업 유형

ANTAGONIST

작동 메커니즘

Antagonist of Y 1 receptor

순수함

≥98%

이름과 식별자

• 정식 스마일: C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NC(CCCN=C(N)N)C(=O)NCC3=CC=C(C=C3)CNC(=O)N
• IUPAC Name: (2R)-N-[[4-[(carbamoylamino)methyl]phenyl]methyl]-5-(diaminomethylideneamino)-2-[(2,2-diphenylacetyl)amino]pentanamide
• InChIKey: TVMJSGGZULFVCZ-XMMPIXPASA-N
• INCHI: 1S/C29H35N7O3/c30-28(31)33-17-7-12-24(26(37)34-18-20-13-15-21(16-14-20)19-35-29(32)39)36-27(38)25(22-8-3-1-4-9-22)23-10-5-2-6-11-23/h1-6,8-11,13-16,24-25H,7,12,17-19H2,(H,34,37)(H,36,38)(H4,30,31,33)(H3,32,35,39)/t24-/m1/s1
• 이성체 SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)N[C@H](CCCN=C(N)N)C(=O)NCC3=CC=C(C=C3)CNC(=O)N
• 대체 CAS: 191868-14-1；2310085-85-7
• 분자량: 529.6

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: N-acyl-alpha amino acids and derivatives Alpha amino acid amides Phenylacetamides N-acyl amines Ureas Secondary carboxylic acid amides Guanidines Propargyl-type 1,3-dipolar organic compounds Carboximidamides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylmethane - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Phenylacetamide - Fatty acyl - Fatty amide - N-acyl-amine - Carboxamide group - Guanidine - Urea - Secondary carboxylic acid amide - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organooxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
• 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

관련 대상(인간)

NPY1R Tchem Neuropeptide Y receptor type 1 (3 Activities)

Discover Target: NPY1R

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

NPY4R Tchem Neuropeptide Y receptor type 4 (1071 Activities)

Discover Target: NPY4R

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

NPY2R Tchem Neuropeptide Y receptor type 2 (3731 Activities)

Discover Target: NPY2R

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

관련 대상(비인간)

Npy1r Neuropeptide Y receptor type 1 (8 Activities)

Discover Target: Npy1r

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

작용 메커니즘

화학 및 물리적 특성

• 분자량: 529.600 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 13
• Exact Mass: 529.28 Da
• Monoisotopic Mass: 529.28 Da
• Topological Polar Surface Area: 178.000 Ų
• Heavy Atom Count: 39
• Formal Charge: 0
• Complexity: 779.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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: 1