4-Desoxypyridoxine hydrochloride
Deoxypyridoxine hydrochloride · nsc3063 · 4-DEOXYPYRIDOXINE HCL · Vitamin B6 Impurity B · Pyridoxine Impurity B · Vitamin B6 Impurity 2 · DEOXYPYRIDOXINE, 4- HCL · Pyridoxine EP Impurity B
식별자 및 물리적 특성
| CAS No. | 148-51-6 |
|---|---|
| 분자식 | C8H12ClNO2 |
| 평균 분자량 | 189.64 g/mol |
| 단동위원소 질량 | 189.0556563 g/mol |
| SMILES | Cc1ncc(CO)c(C)c1O.Cl |
| InChIKey | QZKKOQQIVLXUEI-UHFFFAOYSA-N |
| PubChem CID | 67417 |
| EC No. | 205-714-8 |
| DTXSID | DTXSID40163860 |
화학 및 물리적 성질
| 극성 표면적 | 53.4 |
|---|---|
| 수소 결합 공여자 수 | 3 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 12 |
| 형식 전하 | 0 |
| 복잡도 | 129 |
| 녹는점 | 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 |
| InChIKey | QZKKOQQIVLXUEI-UHFFFAOYSA-N |
| SMILES | Cl.Cc1ncc(CO)c(C)c1O |
화학적 성질
Solid
안전 및 규제
| GHS 분류 | WarningH302 (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. |
|---|---|
| 수질 위해 등급(WGK) | 3 |
| RTECS 번호 | UT4800000 |
| 독성 | LD50 oral in chicken: 1570mg/kg |
| 관세 코드 | 29333990 |
| 저장 분류 | 11 - Combustible Solids |
용도
개요
4-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.
용도
4-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.