Histrelin (acetate)
기본 정보
- CAS
220810-26-4- 표준 SMILES
CC(=O)O.CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1cn(Cc2ccccc2)cn1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1- InChIKey
OWAUGAMNPZHEOJ-YKZVIGSYSA-N- 분자식
- C68H90N18O14
- 평균 분자량
- 1,383.6 g/mol
- 단동위원소 질량
- 1,382.68838962
개요
Histrelin Acetate can cause developmental toxicity according to state or federal government labeling requirements.
이름 및 식별자
- 우선 이름
- Histrelin (acetate)
- IUPAC
- acetic acid;(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-3-(1-benzylimidazol-4-yl)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[(2S)-2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide
- 영어명
- Vantas
- 분자식
- C66H86N18O12
- 분자량
- 1323.52
이름 및 동의어
Histrelin (acetate)Histrelin (acetate)?SCHEMBL18715orb1296368CHEMBL1200509SCHEMBL29372688TP2107LC68H90N18O14MFCD00918679AKOS040764197FD110400TS-10572
이름 더 보기
VantasSupprelin laVantas USP/EP/BPHistrelin acetate, >=98%Histrelin?Acetate impurityHistrelin Acetate(acetate)(Des-Gly??,D-His(Bzl)?,Pro-NHEt?)-LHRH acetate salt(Des-Gly10,D-His(Bzl)6,Pro-NHEt 9)-LHRH acetate salt Pyr-His-Trp-Ser-Tyr-D-His(Bzl)-Leu-Arg-Pro-NHEt acetate salt
(Des-Gly10,D-His(Bzl)6,Pro-NHEt9)-LHRH Acetate(Des-Gly10,D-His(Bzl)6,Pro-NHEt 9)-LHRH acetateAcetic acid--5-oxo-L-prolyl-L-histidyl-L-tryptophyl-L-seryl-L-tyrosyl-1-benzyl-D-histidyl-L-leucyl-N~5~-(diaminomethylidene)-L-ornithyl-N-ethyl-L-prolinamide (1/1)
물성
구조 계산 물성
- 극성 표면적
- 487 Ų
- 수소 결합 공여자 수
- 16
- 수소 결합 수용자 수
- 17
- 회전 가능 결합 수
- 34
- 무거운 원자 수
- 100
- 형식 전하
- 0
- 복잡도
- 2,690
물리화학적 성질
- 저장 조건
- -20 °C · Store at -20°C
- 용해도
- 30 mg/ml; · DMF: 30 mg/ml; DMSO: 30 mg/ml; Ethanol: 0.25 mg/ml; PBS (pH 7.2): 10 mg/ml
- 물리적 상태
- 결정성 고체
- 색상
- White to off-white
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- 신호 어
- Danger
- 유해·위험 문구
- 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H317
화학 및 산업
응용 분야
개요Histrelin is a synthetic gonadotropin-releasing hormone (GNRH) agonist that binds to the GNRH receptor (GNRHR; Ki = 0.2 nM in CHO cells expressing the human receptor). It stimulates release of oxytocin and vasopressin ex vivo from the isolated rat hypothalamo-neurohypophysial system at a concentration of 100 nM. In vivo, the initial dose of histrelin (100 μg) stimulates acute increases in luteinizing hormone (LH), follicle-stimulating hormone (FSH), and testosterone serum levels (50-, 2.5-, and 15-fold, respectively), while chronic treatment leads to 95% decreases in LH and FSH responses in rhesus monkeys. Formulations containing histrelin have been used in the treatment of advanced prostate cancer and central precocious puberty.
추가 설명
정의ChEBI: An acetate salt obtained by combining histrelin with acetic acid. The amount of acetic acid present can vary and a variable amount of water may be present. Histrelin acetate is used as a subcutaneous hydrogel implant for the treatment of prostate cancer an for the suppression of gonadal sex hormone production in children with central precocious puberty.
관련 반응
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