Calindol hydrochloride - Moligand™, ≥98% , CAS No.729610-18-8

CAS: 729610-18-8 Cat. No.: C337240 분자식: C₂₁H₂₁ClN₂ 분자량: 336.86 EC 번호: 110-159-9

GRADE & PURITY Moligand™, ≥98%

Synonyms

(1R)-N-(1H-indol-2-ylmethyl)-1-naphthalen-1-ylethanamine;hydrochloride | (1R)-N-[(1H-Indol-2-yl)methyl]-1-(naphthalen-1-yl)ethan-1-amine--hydrogen chloride (1/1) | (R)-2-[[[1-(1-Naphthyl)ethyl]amino]methyl]-1H-indole Hydrochloride | AS-57849 | AKOS0302545

Storage

Store at 2-8°C

Shipped In

Wet ice

개요

Calindol hydrochloride is a new calcimimetic compound acting at the calcium sensing receptor. It is a positive allosteric modulator of the human Ca|2+|receptor which activates an extracellular ligand-binding domain-deleted, Rhodopsin-like, seven-transmembrane structure in the absence of Ca|2+|.

Specifications

동의어

(1R)-N-(1H-indol-2-ylmethyl)-1-naphthalen-1-ylethanamine;hydrochloride | (1R)-N-[(1H-Indol-2-yl)methyl]-1-(naphthalen-1-yl)ethan-1-amine--hydrogen chloride (1/1) | (R)-2-[[[1-(1-Naphthyl)ethyl]amino]methyl]-1H-indole Hydrochloride | AS-57849 | AKOS0302545

사양 및 순도

Moligand™, ≥98%

보관 조건

Store at 2-8°C

배송

Wet ice

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등급

Moligand™

작업 유형

AGONIST

순수함

≥98%

이름과 식별자

정식 스마일

CC(C1=CC=CC2=CC=CC=C21)NCC3=CC4=CC=CC=C4N3.Cl

IUPAC Name

(1R)-N-(1H-indol-2-ylmethyl)-1-naphthalen-1-ylethanamine;hydrochloride

InChIKey

KFILKQPBQZIRST-XFULWGLBSA-N

INCHI

1S/C21H20N2.ClH/c1-15(19-11-6-9-16-7-2-4-10-20(16)19)22-14-18-13-17-8-3-5-12-21(17)23-18;/h2-13,15,22-23H,14H2,1H3;1H/t15-;/m1./s1

이성체 SMILES

C[C@H](C1=CC=CC2=CC=CC=C21)NCC3=CC4=CC=CC=C4N3.Cl

분자량

336.86

Reaxy-Rn

24217424

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24217424&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• Alternative Parents: Indoles Aralkylamines Substituted pyrroles Heteroaromatic compounds Dialkylamines Azacyclic compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Naphthalene - Indole - Indole or derivatives - Aralkylamine - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Secondary aliphatic amine - Azacycle - Secondary amine - Organoheterocyclic compound - Hydrocarbon derivative - Organonitrogen compound - Hydrochloride - Amine - Organic nitrogen compound - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
• 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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Soluble in Chloroform and Methanol
• 감도: Moisture sensitive
• 녹는점(°C): 208-210° C (dec.)
• 분자량: 336.900 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 336.139 Da
• Monoisotopic Mass: 336.139 Da
• Topological Polar Surface Area: 27.800 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 382.000
• 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: 2

XLogP3