SECO라파마이신나트륨소금
Secorapamycin sodium
기본 정보
- CAS
148554-65-8- 표준 SMILES
CO[C@@H](C[C@@H]1CC[C@@H](C)[C@](O)(C(=O)C(=O)N2CCCC[C@H]2C(=O)[O-])O1)/C(C)=C/C=C/C=C/[C@@H](C)C[C@@H](C)C(=O)[C@H](OC)[C@H](O)/C(C)=C/[C@@H](C)C(=O)/C=C/[C@H](C)C[C@@H]1CC[C@@H](O)[C@H](OC)C1.[Na+]- InChIKey
DNMSBJYMPJMFNS-OWGFPTNRSA-M- 분자식
- C51H78NNaO13
- 평균 분자량
- 936.2 g/mol
- 단동위원소 질량
- 935.53708582
이름 및 식별자
- 우선 이름
- Secorapamycin sodium
- IUPAC
- sodium (2S)-1-[2-[(2R,3R,6S)-2-hydroxy-6-[(2S,3E,5E,7E,9S,11R,13R,14R,15E,17R,19E,21R)-14-hydroxy-22-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-2,13-dimethoxy-3,9,11,15,17,21-hexamethyl-12,18-dioxodocosa-3,5,7,15,19-pentaenyl]-3-methyloxan-2-yl]-2-oxoacetyl]piperidine-2-carboxylate
- 현지명
- SECO라파마이신나트륨소금
- 영어명
- SECO RAPAMYCIN SODIUM SALT
- 분자식
- C51H80NNaO13
- 분자량
- 938.18
이름 및 동의어
148554-65-8Secorapamycin sodium5C22RFD4Y6RefChem:1098400seco Rapamycin Sodium SaltSecorapamycinSeco Rapamycin SodiumSeco Rapamycin (sodium salt)sodium;(2S)-1-[2-[(2R,3R,6S)-2-hydroxy-6-[(2S,3E,5E,7E,9S,11R,13R,14R,15E,17R,19E,21R)-14-hydroxy-22-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-2,13-dimethoxy-3,9,11,15,17,21-hexamethyl-12,18-dioxodocosa-3,5,7,15,19-pentaenyl]-3-methyloxan-2-yl]-2-oxoacetyl]piperidine-2-carboxylateSecorapamycin A monosodium(19E/Z)-seco Rapamycin Sodium Salt (~80% by HPLC)Secorapamycin A Sodium
이름 더 보기
SECO라파마이신나트륨소금SecosirolimusSecorapamycin Na saltseco Rapamycin Sodium Salt, >85% By HPLC(19E/Z)-seco Rapamycin Sodium Salt (>80%)(19E/Z)-seco Rapamycin Sodium Salt, (>80% HPLC)
C51H78NNaO13SCHEMBL29692753Secorapamycin A(Seco Rapamycin)?YFA55465HY-19555AMFCD09841237AKOS030526566CS-5489
물성
구조 계산 물성
- 극성 표면적
- 209 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 13
- 회전 가능 결합 수
- 24
- 무거운 원자 수
- 66
- 형식 전하
- 0
- 복잡도
- 1,760
물리화학적 성질
- 녹는점
- 120 · 120-122°C
- 저장 조건
- -20 °C · Amber Vial, -20°C Freezer, Under Inert Atmosphere
- 용해도
- DMSO(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 고체
- 색상
- 연한 노란색에서 노란색까지
- 안정성
- 감광성
화학적 성질
Yellow Solid
화학 및 산업
응용 분야
개요Rapamycin is a natural macrolide immunosuppressant that activates mTORC1. Seco Rapamycin (sodium salt) is a nonenzyme-dependent degradation product of rapamycin resulting from ester hydration followed by dehydration. It has less than 4% of the potency of rapamycin in a thymocyte proliferation assay. Rapamycin quickly degrades to two ring-opened products, including seco rapamycin, in the cytoplasm or in homogenates of Caco-2 cells. Like rapamycin, seco rapamycin is secreted from cells by P-glycoprotein and metabolized to a common dihydro species. While seco rapamycin poorly activates mTOR, it mimics rapamycin in its ability to inhibit the proteasome.
용도A metabolite of Sirolimus
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