기본 정보
- CAS
475-67-2- 표준 SMILES
COc1ccc2c(c1O)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3- InChIKey
QELDJEKNFOQJOY-ZDUSSCGKSA-N- 분자식
- C20H23NO4
- 평균 분자량
- 341.4 g/mol
- 단동위원소 질량
- 341.16270821
개요
Isocorydine is an aporphine alkaloid.
이름 및 식별자
- 우선 이름
- (+)-Isocorydine
- IUPAC
- (6aS)-1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol
- 영어명
- Isocorydine hydrochloride
- 분자식
- C20H23NO4
- 분자량
- 341.4
이름 및 동의어
Isocorydine475-67-2(+)-IsocorydineArtabotrinLuteaninUzokoridind-IsocorydineL-(+)-IsocorydineS-(+)-IsocorydineLindcarpine, N,O-dimethyl-Aporphin-11-ol, 1,2,10-trimethoxy-(+)-(S)-Isocorydine
이름 더 보기
LUTEANINEAids138466Aids-138466lsocorynoline
(S)-(+)-Isocorydine3B5E87JEOX4H-Dibenzo(de,g)quinolin-11-ol, 5,6,6a,7-tetrahydro-1,2,10-trimethoxy-6-methyl-, (S)-DTXSID201023580NSC-32979(6aS)-1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol6a-alpha-APORPHIN-11-OL, 1,2,10-TRIMETHOXY-NSC-645316
데이터베이스 식별자
- CAS
475-67-2- PubChem CID
- 10143
- DTXSID
DTXSID201023580- ChEMBL
CHEMBL489525- ChEBI
CHEBI:6000- UNII
- 3B5E87JEOX
- Nikkaji
- J5.971D
물성
구조 계산 물성
- XLogP
- 2.6
- 극성 표면적
- 51.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 475
실험 및 물리화학적 성질
SpringerMaterials PropertiesChemical diffusion
Melting Point185 °C
Physical DescriptionSolid
Collision Cross Section181.9 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
물리화학적 성질
- 녹는점
- 216 · 216-220 °C(lit.)
- 끓는 점
- 477.03 °C · 477.03°C (rough estimate)
- 밀도
- 1.2064 · 1.2064 (rough estimate)
- 굴절률
- 1.5614 · 1.5614 (estimate)
- 용해도
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- 물리적 상태
- Cryst.
- 산도 계수 (pKa)
- 9.41 · 9.41±0.20(Predicted)
- 색상
- White to off-white
- InChI
- InChI=1S/C20H23NO4/c1-21-8-7-12-10-15(24-3)20(25-4)18-16(12)13(21)9-11-5-6-14(23-2)19(22)17(11)18/h5-6,10,13,22H,7-9H2,1-4H3/t13-/m0/s1
- InChIKey
- QELDJEKNFOQJOY-ZDUSSCGKSA-N
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
독성 정보
Toxicity Summary
Isocorydine induces G2/M phase arrest by increasing cyclin B1 and p-CDK1 expression levels, which was caused by decreasing the expression and inhibiting the activation of Cdc25C. The phosphorylation levels of Chk1 and Chk2 were increased after ICD treatment. Furthermore, G2/M arrest induced by ICD can be disrupted by Chk1 siRNA but not by Chk2 siRNA. In addition, isocorydine treatment led to a decrease in the percentage of CD133+ PLC/PRF/5 cells. Interestingly, isocorydine treatment dramatically decreased the tumorigenicity of SMMC-7721 and Huh7 cells. (A15211)
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
안전 데이터
- wgk
- 3
- rtecs
- CE1057950
- 독성
- LD50 intraperitoneal in mouse: 104mg/kg
화학 및 산업
약리 정보
Cellular LocationsMembrane
용도 및 제조
Uses(S)-Isocorydine is found in cherimoya.
응용 분야
개요Isocorydine is an aporphine alkaloid that has been found in A. squamosa that has vasodilatory and anticancer activities. It reduces the action potential duration and increases the effective refractory period in isolated canine Purkinje fibers when used at a concentration of 30 μM. Isocorydine induces relaxation of norepinephrine-precontracted isolated rabbit aortic strips with an EC50 value of 12.6 μM. It is cytotoxic to A549 lung cancer cells (IC50 = 197.7 μM), as well as Huh7, HepG2, SNU-449, and SNU-387 hepatic cancer cells (IC50s = 161.3, 148, 262.2, and 254.1 μg/ml, respectively). Isocorydine, in combination with doxorubicin, reduces tumor growth in a Huh7 mouse xenograft model.
용도sedative, cholinergic
상·하류 제품 정보
하류 제품
공급사100 곳
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