기본 정보
- CAS
180003-17-2- 표준 SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12- InChIKey
IMIPDPVHGGHVNH-YWVHRCQQSA-N- 분자식
- C36H54O3
- 평균 분자량
- 534.8 g/mol
- 단동위원소 질량
- 534.40729558
개요
Oleoyl-estrone (OE) is a fatty acid ester of estrone. This hormone occurs naturally and is found circulating in various animal species and humans. It has been shown in animal studies to promote the loss of body fat while maintaining body protein storage, maintaining nitrogen balance. Body protein loss is an unpleasant effect of fat loss by the restriction of calories, and studies show that this drug appears to avoid this effect.
이름 및 식별자
- 우선 이름
- Oleoylestrone
- IUPAC
- [(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] (Z)-octadec-9-enoate
- 현지명
- 3-올레오일스트론-2,4,16,16-D4
- 영어명
- 3-Oleoylestrone-2,4,16,16-D4
- 분자식
- C36H54O3
- 분자량
- 534.81
이름 및 동의어
oleoylestroneOleoyl-estroneEstrone 3-oleate180003-17-2oleoyl estroneestrone monooleateEstrone oleic acid ester64R56KMG1ZMP-101 (OLEOYLESTRONE)DTXSID8041086Estra-1,3,5(10)-trien-17-one, 3-(((9Z)-1-oxo-9-octadecen-1-yl)oxy)-[(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] (Z)-octadec-9-enoate
이름 더 보기
3-올레오일스트론-2,4,16,16-D4MP101MP-101MP 101[3(Z)]-3-[(1-Oxo-9-octadecenyl)oxy]estra-1,3,5(10)-trien-17-oneEstra-1,3,5(10)-trien-17-one, 3-[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]-(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-yl oleate
((8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta(a)phenanthren-3-yl) (Z)-octadec-9-enoateRefChem:168100DTXCID6021086(1S,10R,11S,15S)-15-methyl-14-oxotetracyclo(8.7.0.02,?.011,1?)heptadeca-2(7),3,5-trien-5-yl (9Z)-octadec-9-enoateMerlin-2UNII-64R56KMG1ZOleoyl-estrone (mp 101)SCHEMBL38079
물성
구조 계산 물성
- XLogP
- 10.7
- 극성 표면적
- 43.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 17
- 무거운 원자 수
- 39
- 형식 전하
- 0
- 복잡도
- 786
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
물리화학적 성질
- 끓는 점
- 644.2 · 644.2±55.0 °C(Predicted)
- 밀도
- 1.01 · 1.010
화학 및 산업
약리 정보
PharmacodynamicsOleoyl-estrone is a fatty acid ester of estrone, and may be directly involved in the control of body weight (PMID: 8782737).
Mechanism of Action
Based on extensive preclinical studies, it is believed that oleoyl-estrone (OE) works by a dual mechanism of action. Centrally, OE appears to act at the brain's hypothalamus, resetting the body's ponderostat, the “food control center” in the brain that detects and integrates signals that control both appetite and metabolic behavior. Peripherally, OE also causes reduced storage of fat in “white fat” tissue and allows skeletal muscle to use fat as an alternate energy source.
MeSH Pharmacological ClassificationAgents that increase energy expenditure and weight loss by neural and metabolic regulation.
Absorption, Distribution and ExcretionOrally available
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