4-Desoxypyridoxine hydrochloride

HCID 67417

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 148-51-6
표준 SMILES: Cc1ncc(CO)c(C)c1O.Cl
InChIKey: QZKKOQQIVLXUEI-UHFFFAOYSA-N
분자식: C8H12ClNO2
평균 분자량: 189.64 g/mol
단동위원소 질량: 189.0556563

이름 및 식별자

우선 이름: 4-Desoxypyridoxine hydrochloride
IUPAC: 5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol;hydrochloride
영어명: 4-Deoxypyridoxine hydrochloride
분자식: C8H12ClNO2
분자량: 189.64

이름 및 동의어

4-Deoxypyridoxine hydrochloride148-51-64-Desoxyadermin4-Desoxypyridoxine hydrochloride4 DOP hydrochlorideDesoxypyridoxime hydrochloride4-Desoxyadermin hydrochloride4-Deoxypyridoxol hydrochloride4-DOP hydrochlorideDeoxypyridoxine hydrochlorideDesoxypyridoxine hydrochloride4-Desoxypyridoxine HCl

이름 더 보기

nsc30634-DEOXYPYRIDOXINE HCLVitamin B6 Impurity BPyridoxine Impurity BVitamin B6 Impurity 2DEOXYPYRIDOXINE, 4- HCLPyridoxine EP Impurity BPyridoxine Impurity B HClPyridoxine HCl IMpurity B

NSC 30635-Hydroxy-4,6-dimethyl-3-pyridinemethanol HydrochlorideUNII-P9QAN95HHXEINECS 205-714-8AI3-25014NSC-30633-Pyridinemethanol, 4,6-dimethyl-5-hydroxy-, hydrochloride3-Pyridinemethanol, 5-hydroxy-4,6-dimethyl-, hydrochloride

데이터베이스 식별자

CAS: 148-51-6
PubChem CID: 67417
DTXSID: DTXSID40163860
UNII: P9QAN95HHX
EC Number: 205-714-8

물성

구조 계산 물성

극성 표면적: 53.4 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 129

물리화학적 성질

녹는점: 274 °C · 274°C(dec.)(lit.)
저장 조건: Inert atmosphere,Room Temperature
용해도: DMSO (Slightly, Heated), Methanol (Slightly, Heated)
물리적 상태: Solid
색상: 흰색에서 옅은 빨간색까지
생물학적 소스: synthetic (organic)
안정성: 흡습성
주요 응용: 법의학 및 독성학수의사비타민, 기능성 식품 및 천연 제품
InChI: 1S/C8H11NO2.ClH/c1-5-7(4-10)3-9-6(2)8(5)11;/h3,10-11H,4H2,1-2H3;1H
InChIKey: QZKKOQQIVLXUEI-UHFFFAOYSA-N
SMILES: Cl.Cc1ncc(CO)c(C)c1O

화학적 성질

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)

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

안전 데이터

wgk: 3
rtecs: UT4800000
독성: LD50 oral in chicken: 1570mg/kg
HS 번호: 29333990
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

약리 정보

MeSH Pharmacological Classification · 2건

Substances that reduce or suppress INFLAMMATION.

Substances that are destructive to protozoans.

응용 분야 · 2건

개요4-deoxy Pyridoxine (DOP) is a vitamin B6 antimetabolite with diverse biological activities. It inhibits transport of pyridoxine , pyridoxal, and pyridoxamine in and reduces growth of S. carlsbergensis cells. DOP inhibits sphingosine-1-phosphate (S1P) lyase and reduces cyclic stretch-induced apoptosis in alveolar epithelial MLE-12 cells. DOP (5 mg, i.p.) reduces lysyl oxidase activity by 26% and reduces collagen and elastin crosslinking, resulting in limb abnormalities in chick embryos. It decreases latency to first seizure in mice (ED50 = 1 mmol/kg) and increases the occurrence and duration of myoclonic responses in baboons with photosensitive epilepsy. DOP reduces TNF-α and IL-6 production in mice infected with T. spiralis.

용도4-Deoxypyridoxine is the deoxy analogue of Pyridoxine (P991735). 4-Deoxypyridoxine is a vitamin B6 antimetabolite; 4-Deoxypyridoxine can induce a deficient status that alters the function and ultrastructure of EC similar to vascular disease.