Hydroxycamptothecin
데이터를 보충하는 중입니다. 잠시 후 페이지를 새로 고치면 최신 내용을 볼 수 있습니다
기본 정보
- CAS
19685-09-7- 표준 SMILES
CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(O)ccc3nc2-1- InChIKey
HAWSQZCWOQZXHI-FQEVSTJZSA-N- 분자식
- C20H16N2O5
- 평균 분자량
- 364.4 g/mol
- 단동위원소 질량
- 364.10592161
개요
10-Hydroxycamptothecin is a pyranoindolizinoquinoline.
이름 및 식별자
- 우선 이름
- Hydroxycamptothecin
- IUPAC
- (19S)-19-ethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione
- 영어명
- 10-Hydroxycamptothecin
- 분자식
- C20H16N2O5
- 분자량
- 364.35
이름 및 동의어
10-Hydroxycamptothecin19685-09-7(S)-10-HydroxycamptothecinHydroxycamptothecin10-hydroxycamptothecine10-HCPTNSC-1071249Z01632KRV(19S)-19-ethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione(19S)-19-ethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo(11.8.0.02,11.04,9.015,20)henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dioneRefChem:77529613-598-9
이름 더 보기
SN38HCPT10-hydroxycamptothecin,HCPTAmpuleNSC 107124HYDROCAMPTOTHECINEhydroxy-camptotheci
(S)-4-Ethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione(4S)-4-Ethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione10-Hydroxy camptothecinHydroxycamptothecineCamptothecin, hydroxy-Camptothecine, 10-hydroxy-10-Hydroxy-CamptothecinMFCD02093100
데이터베이스 식별자
- CAS
19685-09-7、64439-81-2- PubChem CID
- 97226
- DTXSID
DTXSID00941444- ChEMBL
CHEMBL273862- ChEBI
CHEBI:81395- UNII
- 9Z01632KRV
- EC Number
- 613-598-9、805-668-4
- Nikkaji
- J258.662B、J3.021.724A
물성
구조 계산 물성보충 중
- XLogP
- 0.6
- 극성 표면적
- 100 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 774
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
Collision Cross Section
187 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
201.21 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
물리화학적 성질
- 녹는점
- 265 · 265-270°C
- 끓는 점
- 820.7 · 820.7±65.0 °C(Predicted)
- 밀도
- 1.6 · 1.60
- 저장 조건
- -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
- 용해도
- 23.8 mg/mL · ≥23.8 mg/mL in DMSO with gentle warming; insoluble in EtOH; insoluble in H2O
- 산도 계수 (pKa)
- 8.93 · 8.93±0.40(Predicted)
- 물리적 상태
- powder to crystal
- 색상
- 흰색에서 노란색, 주황색으로
- InChI
- InChI=1S/C20H16N2O5/c1-2-20(26)14-7-16-17-11(5-10-6-12(23)3-4-15(10)21-17)8-22(16)18(24)13(14)9-27-19(20)25/h3-7,23,26H,2,8-9H2,1H3/t20-/m0/s1
- InChIKey
- HAWSQZCWOQZXHI-FQEVSTJZSA-N
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (97.4%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, 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.
Danger
H301+H311+H331 (20%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
유해성 정보
Hazard Classes and Categories
Skin Irrit. 2 (97.4%)
Acute Tox. 3 (80%)
안전 데이터
- HS 번호
- 29349990
- safety_code
- 24/25
화학 및 산업
약리 정보
MeSH Pharmacological ClassificationAgents obtained from higher plants that have demonstrable cytostatic or antineoplastic activity.
응용 분야
개요DNA topoisomerases relax supercoiled DNA during replication, transcription, recombination, repair, and chromosome condensation. The relaxation of DNA supercoiling by topoisomerase I at single-strand breaks represents a target for anticancer agents to intercalate between DNA base pairs, leading to the activation of apoptotic and cell cycle arrest pathways. (S)-10-hydroxy-Camptothecin is an inhibitor of topoisomerase I originally isolated from the Chinese tree C. acuminata. It is a member of the camptothecin family that demonstrates less toxicity than its parent compound. (S)-10-hydroxy-Camptothecin has strong anti-tumor activity against a wide range of experimental tumors including L1210 leukemia cells (IC50 = 1.15 μM). In vitro treatment of human HepG2 cells with 5-20 μM (S)-10-hydroxy-camptothecin results in cell cycle arrest at the G2/M phase.
용도A Camptothecin derivative; a topoisomerase inhibitor for cancer therapy
상·하류 제품 정보
하류 제품
관련 반응
11건
화합물 노트
불러오는 중…