CAS 364782-34-3 Cinacalcet Hydrochloride (HCID 156418)

개요

Cinacalcet hydrochloride is a hydrochloride derived from equimolar amounts of cinacalcet and hydrogen chloride. It has a role as a calcimimetic and a P450 inhibitor. It is functionally related to a cinacalcet.

이름 및 식별자

우선 이름: Cinacalcet Hydrochloride
IUPAC: N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
영어명: Cinacalcet hydrochloride
분자식: C22H23ClF3N
분자량: 393.88

이름 및 동의어

Cinacalcet hydrochloride364782-34-3Cinacalcet HClMimparaAMG073 HClDTXSID3046792AMG-073 HCLAMG073 hydrochloride1K860WSG25DTXCID1026792CHEBI:483911-Naphthalenemethanamine, a-methyl-N-(3-(3-(trifluoromethyl)phenyl)propyl)-,(aR)-, Hydrochloride

이름 더 보기

N-((1R)-1-(1-Naphthyl)ethyl)-3-(3-(trifluoromethyl)phenyl)propan-1-amine hydrochlorideCS-502calcimimeticsCinacalcet HCl D3Cinacalcet R-isomerCinacalcet HCl,AMG073

RefChem:57402620-490-5Sensipar(R)-N-(1-(Naphthalen-1-yl)ethyl)-3-(3-(trifluoromethyl)phenyl)propan-1-amine hydrochlorideRegparaCinacalcet hydrochloride [USAN]MFCD08067750CNC-HCl

데이터베이스 식별자

CAS: 364782-34-3
PubChem CID: 156418
DTXSID: DTXSID3046792
ChEMBL: CHEMBL1200776
ChEBI: CHEBI:48391
UNII: 1K860WSG25
EC Number: 620-490-5

물성

구조 계산 물성

극성 표면적: 12 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 6
무거운 원자 수: 27
형식 전하: 0
복잡도: 422

실험 및 물리화학적 성질

Human Drugs · 5건

Breast Feeding; Lactation; Milk, Human; Calcium-Regulating Hormones and Agents; Calcimimetic Agents

FDA approved drugs -> Active ingredient

EMA approved medicines: Human medicine

FDA approved drugs -> Active ingredient

물리화학적 성질

녹는점: 175 · 175-177°C
저장 조건: 2 · Inert atmosphere,2-8°C
용해도: 2 O; · insoluble in H2O; ≥17.85 mg/mL in DMSO; ≥56 mg/mL in EtOH
물리적 상태: 고체
색상: White to off-white
주요 응용: 의약품(소분자)
InChI: InChI=1/C22H22F3N.ClH/c1-16(20-13-5-10-18-9-2-3-12-21(18)20)26-14-6-8-17-7-4-11-19(15-17)22(23,24)25;/h2-5,7,9-13,15-16,26H,6,8,14H2,1H3;1H/t16-;/s3
InChIKey: QANQWUQOEJZMLL-LSQUZMQTNA-N
SMILES: C12C=CC=CC1=CC=CC=2[C@@H](C)NCCCC1=CC=CC(C(F)(F)F)=C1.Cl |&1:10,r|

화학적 성질

Off-White to Tan Solid

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 9.1% (1 of 11) of reports.

Danger

H302 (45.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P302+P352, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P333+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 11 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (45.5%)

독성 정보

Drug Induced Liver Injury · 6건

Drug Induced Liver Injury Rank (DILIrank 2.0)

Cinacalcet hydrochloride

vNo-DILI-concern

0

No match

DOI:10.1016/j.drudis.2016.02.015

Effects During Pregnancy and Lactation◉ Summary of Use during Lactation

안전 데이터

wgk: WGK 3
HS 번호: 29214990
safety_code: 24/25
Hazard Classifications: Acute Tox. 4 OralAquatic Chronic 4Eye Dam. 1Skin Corr. 1ASkin Sens. 1BSTOT RE 2
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

약리 정보

FDA Pharmacological Classification · 2건

CINACALCET HYDROCHLORIDE

Calcium-sensing Receptor Agonist [EPC]; Increased Calcium-sensing Receptor Sensitivity [MoA]

MeSH Pharmacological Classification · 2건

Hormones and molecules with calcium-regulating hormone-like actions that modulate OSTEOLYSIS and other extra-skeletal activities to maintain calcium homeostasis.

Small organic molecules that act as allosteric activators of the calcium sensing receptor (CaSR) in the PARATHYROID GLANDS and other tissues. They lower the threshold for CaSR activation by extracellular calcium ions and diminish PARATHYROID HORMONE (PTH) release from parathyroid cells.

응용 분야

용도Cinacalcet hydrochloride can be used in clinical trial in secondary hyperparathyroidism.

용도Cinacalcet hydrochloride is an orally active, allosteric agonist of Ca receptor (CaR), used for cardiovascular disease treatment.

상·하류 제품 정보

상류 원료

1-Naphthalenemethanamine, α-methyl-N-[3-[3-(trifluoromethyl)phenyl]-2-propen-1-ylidene]-, (αR)-메탄술폰산3-(3-트리플루오로메틸페닐)프로필에스테르 Cinacalcet Impurity C (R)-(+)-1-(1-Naphthyl)ethylamine hydrochloride N-((R)-1-(나프탈렌-1-일)에틸)-3-(3-(트리플루오로메틸)페닐)프로판아미드 1-브로모-3-[3-(트리플루오로메틸)페닐]프로판 시나칼세트 (R)-(+)-1-(1-Naphthyl)ethylamine

공급사100 곳

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

INTATRADE GmbH+49 3493/605464 · [email protected]

LGM Pharma1-(800)-881-8210 · [email protected]

Syntechem Co.,Ltd[email protected]

北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]

추가 설명

정의ChEBI: Cinacalcet hydrochloride is a hydrochloride derived from equimolar amounts of cinacalcet and hydrogen chloride. It has a role as a calcimimetic and a P450 inhibitor. It is functionally related to a cinacalcet.