Vinpocetine

HCID 443955CAS 42971-09-5

기본 정보

표준 SMILES
CCOC(=O)C1=C[C@]2(CC)CCCN3CCc4c(n1c1ccccc41)[C@@H]32
InChIKey
DDNCQMVWWZOMLN-IRLDBZIGSA-N
분자식
C22H26N2O2
평균 분자량
350.5 g/mol
단동위원소 질량
350.19942807

개요

Vinpocetine is an alkaloid. It has a role as a geroprotector.

이름 및 식별자

우선 이름
Vinpocetine
IUPAC
ethyl (15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaene-17-carboxylate
영어명
Vinpocetine
분자식
C22H26N2O2
분자량
350.46

이름 및 동의어

vinpocetine42971-09-5CavintonCeractinBravintonVinporalApovincaminic acid ethyl esterEthyl apovincamin-22-oateUltra-VincaVinpocetinumRGH 4405cis-Apovincaminic acid ethyl ester
이름 더 보기
VINPOCETINAppearanceEBURNAMENINEEthyl apovincaminate(3alpha,16alpha)-Eburnamenine-14-carboxylic acid ethyl esterTcv-3BCS-1570RGH-4405
Ethyl (+)-cis-apovincaminateTCV 3BVinpocetinaDTXSID5023740NSC-760093AY-27,255543512OBTCAY-27255

데이터베이스 식별자

CAS
42971-09-5
PubChem CID
443955
DTXSID
DTXSID5023740
ChEMBL
CHEMBL71752
ChEBI
CHEBI:32297
UNII
543512OBTC
EC Number
256-028-0
Nikkaji
J3.510F

물성

구조 계산 물성

XLogP
4.1
극성 표면적
34.5 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
3
회전 가능 결합 수
4
무거운 원자 수
26

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Listed in ZINC15
LogP4.23
Solubility35.5 [ug/mL] (The mean of the results at pH 7.4)
Dietary IngredientsVinpocetine
Dissociation Constants7.1

물리화학적 성질

녹는점
147 · 147-153 °C dec.
끓는 점
484.44 °C · 484.44°C (rough estimate)
밀도
1.126 · 1.1260 (rough estimate)
굴절률
1.65 · 1.6500 (estimate)
저장 조건
2 · Sealed in dry,2-8°C
용해도
5 mg/mL · DMSO: 5mg/mL 에 용해됨

화학적 성질

White Crystalline Solid

안전 및 규제

GHS 분류

GHS Classification · 4건

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)

Aggregated GHS information provided per 48 reports by companies from 3 notifications to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk
3
rtecs
JW4792000
독성
LD50 in mice, rats (mg/kg): 534, 503 orally; 240, 133.8 i.p.; 58.7, 42.6 i.v. (Pálosi, Szporny), also reported as 161.2 mg/kg i.p. in mice (Cholnoky, Dmk)
HS 번호
29399990
risk_code
22
hazard_code
Xn

화학 및 산업

약리 정보

ATC Code · 2건

N - Nervous system

QN - Nervous system

MeSH Pharmacological Classification · 4건

Compounds which inhibit or antagonize the biosynthesis or actions of phosphodiesterases.

Drugs used to cause dilation of the blood vessels.

Drugs intended to prevent damage to the brain or spinal cord from ischemia, stroke, convulsions, or trauma. Some must be administered before the event, but others may be effective for some time after. They act by a variety of mechanisms, but often directly or indirectly minimize the damage produced by endogenous excitatory amino acids.

Drugs used to specifically facilitate learning or memory, particularly to prevent the cognitive deficits associated with dementias. These drugs act by a variety of mechanisms.

응용 분야

용도A calcium/calmodulin-dependent phosphodiesterase 1 (PDE1) inhibitor

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
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]

관련 반응

4건

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