파드로졸염산염
파드로졸염산염 · CS-356 · D02451 · Fadrazole · CGS-16949A · Fadrozole HCl · Fadrozole hydrochloride · Fadrozole HCl (CGS-16949A)
식별자 및 물리적 특성
| CAS No. | 102676-31-3 |
|---|---|
| 분자식 | C14H14ClN3 |
| 평균 분자량 | 259.73 g/mol |
| 단동위원소 질량 | 259.08762513 g/mol |
| SMILES | Cl.N#Cc1ccc(C2CCCc3cncn32)cc1 |
| InChIKey | UKCVAQGKEOJTSR-UHFFFAOYSA-N |
| PubChem CID | 59694 |
| ChEMBL | CHEMBL468419 |
| ChEBI | CHEBI:31589 |
| EC No. | 631-311-5 |
| DTXSID | DTXSID4020618 |
| 현지명 | 파드로졸염산염 |
화학 및 물리적 성질
| 극성 표면적 | 41.6 |
|---|---|
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 18 |
| 형식 전하 | 0 |
| 복잡도 | 311 |
| 녹는점 | 231-233℃ |
| 저장 조건 | room temp |
| 용해도 | DMSO: >20mg/mL |
| 물리적 상태 | 가루 |
| 색상 | 옅은 베이지부터 옅은 노란색까지 |
| 안정성 | 흡습성 |
| InChI | 1S/C14H13N3.ClH/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14/h4-7,9-10,14H,1-3H21H |
| InChIKey | UKCVAQGKEOJTSR-UHFFFAOYSA-N |
| SMILES | Cl.N#Cc1ccc(cc1)C2CCCc3cncn23 |
안전 및 규제
| GHS 분류 | DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P203, P264, P270, P280, P301+P316, P318, P321, P330, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 3 (100%) |
| 수질 위해 등급(WGK) | 2 |
| RTECS 번호 | DI4952500 |
| 운송 번호(UN) | UN 2811 6.1 / PGIII |
| 위험 문구(R) | 63-22 |
| 위험 표시 | Xn |
| 안전 문구(S) | 36/37 |
| 위험 등급 | Acute Tox. 3 OralRepr. 2 |
| 저장 분류 | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
용도
개요
Fadrozole hydrochloride is a non-steroidal imidazole derivative launched for the treatment of post-menopausal breast cancer. Fadrozole is a potent and specific aromatase inhibitor with neither androgenic nor estrogenic activities due to its structural novelty. Fadrozole exerts its action by coordinating with the iron of the porphyrin nucleus, presumably through the imidazole moiety. This strong binding competes with the binding of molecular oxygen to iron and reversibly inactivates the enzyme. An excellent clinical response rate has been reported for fadrozole with no significant side effects.
용도
Fadrozole hydrochloride is a very potent and selective inhibitory effect of the aromatase enzyme system.