기본 정보
- CAS
62561-74-4- 표준 SMILES
N[C@H](Cc1ccc(Br)cc1)C(=O)O- InChIKey
PEMUHKUIQHFMTH-MRVPVSSYSA-N- 분자식
- C9H10BrNO2
- 평균 분자량
- 244.08 g/mol
개요
4-bromo-D-phenylalanine is the D-enantiomer of 4-bromophenylalanine. It is a 4-bromophenylalanine and a D-phenylalanine derivative. It is an enantiomer of a 4-bromo-L-phenylalanine.
이름 및 식별자
- 우선 이름
- (R)-2-amino-3-(4-bromophenyl)propionic acid
- IUPAC
- (2R)-2-amino-3-(4-bromophenyl)propanoic acid
- 영어명
- 4-Bromo-D-phenylalanine
- 분자식
- C9H10BrNO2
- 분자량
- 244.09
이름 및 동의어
62561-74-4(R)-2-amino-3-(4-bromophenyl)propionic acidRefChem:407196818-023-74-Bromo-D-phenylalanined-4-Bromophenylalanine(2R)-2-amino-3-(4-bromophenyl)propanoic acid(r)-2-amino-3-(4-bromophenyl)propanoic acidH-D-Phe(4-Br)-OH4-Bromo-D-Phe-OHMFCD01075126P-BROMO-D-PHENYLALANINE
이름 더 보기
D-PHE(4-BR)D-4-Br-Phe-OHD-Phe(4-Br)-OHH-D-PHE(P-BR)-OHD-4-Bromo-phe-OHH-P-BROMO-D-PHE-OH
M03236D-4-BromopheD-Phenylalanine, 4-bromo-(R)-2-AMINO-3-(4-BROMO-PHENYL)-PROPIONIC ACIDSCHEMBL244718CHEBI:233008PEMUHKUIQHFMTH-MRVPVSSYSA-NAKOS016842809
데이터베이스 식별자
- CAS
62561-74-4- PubChem CID
- 671215
- ChEBI
CHEBI:233008- EC Number
- 818-023-7
- Nikkaji
- J343C
물성
구조 계산 물성
- XLogP
- -0.4
- 극성 표면적
- 63.3 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 178
물리화학적 성질
- 끓는 점
- 368.4 · 368.4±32.0 °C(Predicted)
- 밀도
- 1.588 · 1.588±0.06 g/cm3(Predicted)
- 저장 조건
- Store at RT.
- 용해도
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- 물리적 상태
- 가루
- 산도 계수 (pKa)
- 2.18 · 2.18±0.10(Predicted)
- InChI
- InChI=1S/C9H10BrNO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m1/s1
- InChIKey
- PEMUHKUIQHFMTH-MRVPVSSYSA-N
- SMILES
- C(O)(=O)[C@@H](CC1=CC=C(Br)C=C1)N
화학적 성질
White to off white powder
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- HS 번호
- 2922498590
- hazard_code
- Xi
화학 및 산업
응용 분야
용도4-Bromo-D-phenylalanine serves as a gramicidin S analogue residue that exhibits β-sheet formation and antimicrobial activities closely related to native gramicidin S. The Fmoc-protected derivative functions as a coupling component in solid-phase peptide synthesis, incorporated into sequences such as cyclo-(MAA-Val-Orn(Boc)-Leu-DPhe-Pro-Val-Orn-Leu) and resin-bound SAA(Piv)-Val-Orn(Boc)-Leu-DPhe-Pro-Val-Orn(Boc)-Leu[1].
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