CP-122288 - Moligand™ , Agonist of 5-HT 1B receptor;Agonist of 5-HT 1D receptor, CAS No.143321-74-8, Agonist of 5-HT 1B receptor;Agonist of 5-HT 1D receptor

CAS: 143321-74-8 Cat. No.: C609563 PubChem CID: 132552

GRADE & PURITY Moligand™

Synonyms

N-METHYL-1-(3-(((2R)-1-METHYLPYRROLIDIN-2-YL)METHYL)-1H-INDOL-5-YL)METHANESULFONAMIDE | CP122288 | CP-122288 | (R)-5-(Methylaminosulfonylmethyl)-3-(N-methylpyrrolidin-2-ylmethyl)-1H-indole | SCHEMBL7103413 | BDBM50473521 | BWQZTHPHLITOOZ-CQSZACIVSA-N | UN

Storage

Room temperature

Specifications

동의어

N-METHYL-1-(3-(((2R)-1-METHYLPYRROLIDIN-2-YL)METHYL)-1H-INDOL-5-YL)METHANESULFONAMIDE | CP122288 | CP-122288 | (R)-5-(Methylaminosulfonylmethyl)-3-(N-methylpyrrolidin-2-ylmethyl)-1H-indole | SCHEMBL7103413 | BDBM50473521 | BWQZTHPHLITOOZ-CQSZACIVSA-N | UN

사양 및 순도

Moligand™

보관 조건

Room temperature

등급

Moligand™

작업 유형

AGONIST

작동 메커니즘

Agonist of 5-HT 1B receptor;Agonist of 5-HT 1D receptor

이름과 식별자

• 정식 스마일: CNS(=O)(=O)Cc1ccc2c(c1)c(c[nH]2)C[C@H]1CCCN1C
• IUPAC Name: N-methyl-1-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]methanesulfonamide
• InChIKey: BWQZTHPHLITOOZ-CQSZACIVSA-N
• INCHI: 1S/C16H23N3O2S/c1-17-22(20,21)11-12-5-6-16-15(8-12)13(10-18-16)9-14-4-3-7-19(14)2/h5-6,8,10,14,17-18H,3-4,7,9,11H2,1-2H3/t14-/m1/s1
• 이성체 SMILES: CNS(=O)(=O)CC1=CC2=C(C=C1)NC=C2C[C@H]3CCCN3C
• PubChem CID: 132552

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Indoles and derivatives
      • Subclass Indoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Indoles and derivatives
• Subclass: Indoles
• Intermediate Tree Nodes: Not available
• Direct Parent: 3-alkylindoles
• Alternative Parents: Aralkylamines Substituted pyrroles Organosulfonamides Organic sulfonamides N-alkylpyrrolidines Benzenoids Heteroaromatic compounds Aminosulfonyl compounds Trialkylamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 3-alkylindole - Aralkylamine - Substituted pyrrole - Organic sulfonic acid amide - Benzenoid - N-alkylpyrrolidine - Organosulfonic acid amide - Pyrrole - Pyrrolidine - Organic sulfonic acid or derivatives - Heteroaromatic compound - Organosulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Tertiary aliphatic amine - Tertiary amine - Azacycle - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as 3-alkylindoles. These are compounds containing an indole moiety that carries an alkyl chain at the 3-position.
• 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)

HTR1B Tclin 5-hydroxytryptamine receptor 1B (2 Activities)

Discover Target: HTR1B

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

HTR1D Tclin 5-hydroxytryptamine receptor 1D (2 Activities)

Discover Target: HTR1D

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

HTR1D Tclin Serotonin 1d (5-HT1d) receptor (2897 Activities)

Discover Target: HTR1D

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

HTR1B Tclin Serotonin 1b (5-HT1b) receptor (2801 Activities)

Discover Target: HTR1B

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

관련 대상(비인간)

Cavia porcellus (23802 Activities)

Explore this target

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

작용 메커니즘

화학 및 물리적 특성

• 분자량: 321.400 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 321.151 Da
• Monoisotopic Mass: 321.151 Da
• Topological Polar Surface Area: 73.600 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 476.000
• 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

자주 묻는 질문

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at room temperature.

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

The CAS Number is 143321-74-8. InChIKey BWQZTHPHLITOOZ-CQSZACIVSA-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.