기본 정보
- CAS
5289-74-7- 표준 SMILES
CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C- InChIKey
NKDFYOWSKOHCCO-YPVLXUMRSA-N- 분자식
- C27H44O7
- 평균 분자량
- 480.6 g/mol
- 단동위원소 질량
- 480.30870375
개요
20-hydroxyecdysone is an ecdysteroid that is ecdysone substituted by a hydroxy group at position 20. It has a role as an animal metabolite and a plant metabolite. It is an ecdysteroid, a phytoecdysteroid, a 3beta-sterol, a 20-hydroxy steroid, a 2beta-hydroxy steroid, a 14alpha-hydroxy steroid, a 22-hydroxy steroid and a 25-hydroxy steroid. It is functionally related to an ecdysone.
이름 및 식별자
- 우선 이름
- 20-Hydroxyecdysone
- IUPAC
- (2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
- 영어명
- Hydroxyecdysone
- 분자식
- C27H44O7
- 분자량
- 480.64
이름 및 동의어
20-HYDROXYECDYSONE5289-74-7Crustecdysonebeta-EcdysoneIsoinokosteroneCommisteroneCrustecdysonEcdysteronViticosteroneTHE-7Ekdistenbeta-ECDYSTERONE
이름 더 보기
ECDYSTERONEβ-Ecdysteroneβ-EcdysoneB-ECDYSONEEcdysteroid
20-OH ecdysoneEcdystenBIO101779A7KPL0YBIO-101NSC-629484Bio 101DTXSID5040388
데이터베이스 식별자
- CAS
5289-74-7- PubChem CID
- 5459840
- DTXSID
DTXSID5040388- ChEMBL
CHEMBL224128- ChEBI
CHEBI:16587- UNII
- 779A7KPL0Y
- EC Number
- 811-097-1
- Nikkaji
- J13.425B
물성
구조 계산 물성
- XLogP
- 0.5
- 극성 표면적
- 138 Ų
- 수소 결합 공여자 수
- 6
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 869
실험 및 물리화학적 성질
LipidsLipids -> Sterol Lipids [ST] -> Sterols [ST01] -> Cholesterol and derivatives [ST0101]
Melting Point237.5 - 239.5 °C
Physical DescriptionSolid
Collision Cross Section
221.3 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
217.64 Ų [M+H-H2O]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
물리화학적 성질
- 녹는점
- 242 · 242-244 °C
- 끓는 점
- 498.63 °C · 498.63°C (rough estimate)
- 밀도
- 1.076 · 1.0760 (rough estimate)
- 굴절률
- 1.58 · 1.5800 (estimate)
- 저장 조건
- -20 °C · Sealed in dry,Store in freezer, under -20°C
- 용해도
- 알코올: 용해 가능
- 물리적 상태
- 가루
- 산도 계수 (pKa)
- 14.13 · 14.13±0.70(Predicted)
- 색상
- 하얀색
- Merck
- 13 · 13,3525
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 3.1% (1 of 32) of reports.
Warning
H400 (90.6%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 32 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAquatic Acute 1 (90.6%)
안전 데이터
- wgk
- 2
- rtecs
- FZ8060000
- HS 번호
- 29372900
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 22-24/25-36-26
- F 고인화성물질
- 10
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
Mechanism of Action
Sarconeos activates MAS receptors in muscle cells involved in the Renin-Angiotensin System which results in activation of the P13K/AKT/mTOR pathway. This activation increases protein production and helps preserve muscle mass and strength. In addition, Sarconeos also stimulates the AMPK/ACC pathway, which increases energy production and supports muscle strength and mobility.
Cellular LocationsExtracellular
응용 분야
개요20-Hydroxyecdysone (also known as Ecdysterone) is a hormone-like substance widely found in animals and plants, with a steroid ring at the core of its structure. It has the function of promoting arthropod molting and protecting plants from insects. Studies have shown that when used as a supplement, ecdysterone has a positive effect on human measurements and performance parameters, and is included in the World Anti-Doping Agency's banned list, but it has recently been found that there is a lack of scientific evidence to support WADA's ban on this substance.
용도20-Hydroxyecdysone has been used:in Leibovitz′s dissecting medium for culturing sorting zone and neuropil-associated glia and antennal lobes of Manduca sextain Schneider′s medium to reproduce ex-vivo imaginal disc eversionas a supplement in Mcl8 medium for culturing Drosophila wing imaginal discsas an insect molting hormone
상·하류 제품 정보
상류 원료
하류 제품
공급사100 곳
관련 반응
3건
화합물 노트
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