기본 정보
- CAS
59865-13-3- 표준 SMILES
C/C=C/CC(C)C(O)C1C(=O)NC(CC)C(=O)N(C)CC(=O)N(C)C(CC(C)C)C(=O)NC(C(C)C)C(=O)N(C)C(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(C(C)C)C(=O)N1C- InChIKey
PMATZTZNYRCHOR-IMVLJIQESA-N- 분자식
- C62H111N11O12
- 평균 분자량
- 1,202.6 g/mol
- 단동위원소 질량
- 1,201.84136802
이름 및 식별자
- 우선 이름
- Cyclosporine (USP)
- IUPAC
- 30-ethyl-33-[(E)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
- 현지명
- 시클로스포린 A
- 영어명
- Cyclosporin A
- 분자식
- C62H111N11O12
- 분자량
- 1202.61
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
59865-13-3- PubChem CID
- 5280754
물성
구조 계산 물성
- XLogP
- 7.5
- 극성 표면적
- 279 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 12
- 회전 가능 결합 수
- 15
- 무거운 원자 수
- 85
- 형식 전하
- 0
- 복잡도
- 2,330
물리화학적 성질
- 녹는점
- 148 · 148-151°C
- 끓는 점
- 838.63 °C · 838.63°C (rough estimate)
- 밀도
- 0.9913 · 0.9913 (rough estimate)
- 굴절률
- 1.65 · 1.6500 (estimate)
- 인화점
- 87 ℃ · 87℃
- 저장 조건
- -20 °C · -20°C
- 용해도
- 30 mg/mL · 에탄올: 30mg/mL
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 13.32 · 13.32±0.70(Predicted)
- 색상
- 하얀색
- 수용성
- 디메틸설폭사이드와 에탄올에 용해됩니다. 물에 불용성.
- Merck
- 14 · 14,2752
- BRN
- 3647785 · 3647785
- 안정성
- 3 · 공급된 상태로 3년 동안 안정적입니다. DMSO 또는 에탄올 용액은 -20°C에서 최대 3개월 동안 보관할 수 있습니다.
- InChIKey
- PMATZTZNYRCHOR-CGLBZJNRSA-N
- EPA
- Cyclosporin A (59865-13-3)
화학적 성질
White or almost white powder
안전 및 규제
안전 데이터
- wgk
- 3
- rtecs
- GZ4120000
- ridadr
- UN 1648 3 / PGII
- 독성
- LD50 in mice, rats, rabbits (mg/kg): 107, 25, >10 i.v.; 2329, 1480, >1000 orally (Ryffel)
- HS 번호
- 29419090
- risk_code
- 45-60-22-40-36-20/21/22-11
- hazard_code
- T,Xn,F
- safety_code
- 53-45-36/37-24/25-22-26-16
- 스토리지 클래스
- 10 - Combustible liquids
- 유해 물질 데이터
- 59865-13-3(Hazardous Substances Data)
화학 및 산업
응용 분야
개요Cyclosporine A is a powerful immunosuppressive drug intended for preventing rejection of kidney, heart, and lung transplants. A new era in the development of immunopharmacology began with the discovery of cyclosporines. Cyclosporines are produced by mycelial mushrooms Tolypocladium inflatum, Tricoderma polysporum, and Cylindrocarpon lucidum, which are found in the ground.Cyclosporine A is the first drug to affect a specific line of protecting cells of the body. Unlike usual cytotoxics, it suppresses T-cells and acts on all cell lines simultaneously. Cyclosporine A significantly eases the ‘reception’ of transplants, and increases the possibility of treating autoimmune system diseases.
용도Cyclosporin A is a hydrophobic cyclic peptide isolated from several fungal species including Cylindrocarpon, Fusarium, Trichoderma and Tolypocladium. Cyclosporin A inhibits T-cell activation and has been marketed since 1983 as an immunosuppressant in post-allogeneic organ transplant. Cyclosporin A acts by binding to the protein, cyclophilin (immunophilin), in T-lymphocytes causing inhibition of calcineurin (protein phosphatase 2B). Cyclosporin A reduces transcription of interleukin 2, and inhibits lymphokine production, interleukin release and NO synthesis induced by interleukin 1α, lipopolysaccharides and TNFα.
일반 설명White prismatic needles (from acetone) or white powder.
상·하류 제품 정보
상류 원료
하류 제품
공급사100 곳
추가 설명
정의ChEBI: A cyclic nonribosomal peptide of eleven amino acids; an immunosuppressant drug widely used in post-allogeneic organ transplant to reduce the activity of the patient's immune system, and therefore the risk of organ rejection. Also causes reversible inhibiti n of immunocompetent lymphocytes in the G0- and G1-phase of the cell cycle.
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