심바스타틴,나트륨소금

Tenivastatin sodium

HCID 16760655

기본 정보

CAS
101314-97-0
표준 SMILES
CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)[O-])[C@H]21.[Na+]
InChIKey
RLWRROYWKHUVKF-OKDJMAGBSA-M
분자식
C25H39NaO6
평균 분자량
458.6 g/mol
단동위원소 질량
458.26443324

이름 및 식별자

우선 이름
Tenivastatin sodium
IUPAC
sodium (3R,5R)-7-[(1S,2S,6R,8S,8aR)-8-(2,2-dimethylbutanoyloxy)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoate
현지명
심바스타틴,나트륨소금
영어명
SIMVASTATIN, SODIUM SALT
분자식
C25H41NaO6
분자량
460.59

이름 및 동의어

Tenivastatin sodium101314-97-0Simvastatin, Sodium SaltUNII-2L6JSY5YGL2L6JSY5YGLJ428.165I(betaR,deltaR,1S,2S,6R,8S,8aR)-8-(2,2-Dimethyl-1-oxobutoxy)-1,2,6,7,8,8a-hexahydro-beta,delta-dihydroxy-2,6-dimethyl-1-naphthaleneheptanoic acid, monosodium salt1-Naphthaleneheptanoic acid, 8-(2,2-dimethyl-1-oxobutoxy)-1,2,6,7,8,8a-hexahydro-beta,delta-dihydroxy-2,6-dimethyl-, monosodium salt, (betaR,deltaR,1S,2S,6R,8S,8aR)-(.BETA.R,.DELTA.R,1S,2S,6R,8S,8AR)-8-(2,2-DIMETHYL-1-OXOBUTOXY)-1,2,6,7,8,8A-HEXAHYDRO-.BETA.,.DELTA.-DIHYDROXY-2,6-DIMETHYL-1-NAPHTHALENEHEPTANOIC ACID, MONOSODIUM SALT1-Naphthaleneheptanoic acid, 8-(2,2-dimethyl-1-oxobutoxy)-1,2,6,7,8,8a-hexahydro-.beta.,.delta.-dihydroxy-2,6-dimethyl-, monosodium salt, (.beta.R,.delta.R,1S,2S,6R,8S,8aR)-RefChem:203218Simvastatin Hydroxy Acid Sodium Salt
이름 더 보기
심바스타틴,나트륨소금Simvasatin Ep Imp AFYSMQCWXGBXWLB-VMCZNHHFSA-MSimvastatin Impurity 1(EP-A)Simvastatin Acid Sodium SaltSimvastatin Impurityodium SaltSimvastatin hydroxy acid sodiumSimvastatin Impurity as Sodium SaltSimvastatinEPImpurityA-d6SodiumSalt
simvastatin sodiumCHEMBL487720sodium (3R,5R)-7-((1S,2S,6R,8S,8aR)-8-((2,2-dimethylbutanoyl)oxy)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)-3,5-dihydroxyheptanoateSimvastatin hydroxy acid (sodium)Simvastatin (sodium)sodium;(3R,5R)-7-[(1S,2S,6R,8S,8aR)-8-(2,2-dimethylbutanoyloxy)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoateC25H39NaO6Simvastati

데이터베이스 식별자

CAS
101314-97-0
PubChem CID
16760655
ChEMBL
CHEMBL487720
UNII
2L6JSY5YGL
EC Number
641-864-4
Nikkaji
J428.165I

물성

구조 계산 물성

극성 표면적
107 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
6
회전 가능 결합 수
11
무거운 원자 수
32

물리화학적 성질

녹는점
122 °C · >122°C (dec.)
저장 조건
-20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
용해도
DMSO(약간 용해됨), 메탄올(약간 용해됨), 물(약간 용해됨)
물리적 상태
백색 분말 고체.
색상
흰색에서 옅은 베이지까지
안정성
흡습성

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

안전 데이터

wgk
WGK 2
스토리지 클래스
12 - Non Combustible Liquids

화학 및 산업

응용 분야 · 2건

개요Simvastatin is a competitive inhibitor of HMG-CoA reductase (Ki = 0.12 nM). Simvastatin reduces plasma cholesterol levels in rats and dogs when administered at doses of 1.2 and 8 mg/kg, respectively. Simvastatin suppresses TNF-induced NF-κB activation (IC50 = ~13 μM) and potentiates apoptosis in human myeloid leukemia cells. It also inhibits glutathione peroxidase 4 (GPX4) activity, increases malondialdehyde (MDA) levels, and induces ferroptosis in MDA-MB-231 and MCF-7 breast cancer cells. Formulations containing simvastatin have been used in the treatment of dyslipidemias.

용도Simvastatin Hydroxy Acid Sodium Salt is a metabolite of Simvastatin (S485000), a synthetic derivative of a fermentation product of Aspergillus terreus. A competitive inhibitor of HMG-CoA reductase. A synthetic analog of Lovastatin. Antilipemic. Simvastatin, the drug, is sold under the trade name Zocor.

공급사67 곳

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
艾吉析科技(上海)有限公司17717235263 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
广州佳途科技股份有限公司81960175 18933936954 · [email protected]

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