p-Boronophenylalanine

HCID 53503CAS 76410-58-7

기본 정보

표준 SMILES: NC(Cc1ccc(B(O)O)cc1)C(=O)O
InChIKey: NFIVJOSXJDORSP-UHFFFAOYSA-N
분자식: C9H12BNO4
평균 분자량: 209.01 g/mol
단동위원소 질량: 209.08593826

개요

p-Boronophenylalanine is under investigation in clinical trial NCT00039572 (Boron Neutron Capture Therapy in Treating Patients With Glioblastoma Multiforme or Melanoma Metastatic to the Brain).

이름 및 식별자

우선 이름: p-Boronophenylalanine
IUPAC: 2-amino-3-(4-boronophenyl)propanoic acid
영어명: 4-BORONO-L-PHENYLALANINE
분자식: C9H12BNO4
분자량: 209.01

이름 및 동의어

90580-64-6p-BoronophenylalanineAlanine, 3-(p-boronophenyl)-RefChem:1692884-Borono-DL-phenylalanine2-amino-3-(4-boronophenyl)propanoic acidMFCD01863704Boronophenylalanine, DL-UID84303EL4-Borono-D,L-phenylalanine4-BORONO-PHENYLALANINECHEMBL298071

이름 더 보기

4-boronophenylalanineL-p-Boronophenylalanine4-dihydroxyboryl-l-phenylalanine4-L-BPAEOS-61315L-PHE[B(OH)2]H-S-PHE(4-B(OH)2)-OHLisinopril Impurity 264-BORONO-L-PHENYLALANIN4-BORONO-L-PHENYLALANINE

2-amino-3-[4-(dihydroxyboryl)phenyl]propanoic acidPhenylalanine, 4-borono-3-(p-Boronophenyl)alanineUNII-UID84303ELPhenylalani4-Dihydroxyboryl-DL-phenylalanineDL-boronophenylalanineBOROFALAN, DL-

데이터베이스 식별자

CAS: 76410-58-7、90580-64-6
PubChem CID: 53503
DTXSID: DTXSID701379223
ChEMBL: CHEMBL298071
UNII: UID84303EL
EC Number: 807-298-9
Nikkaji: J1.127.043C

물성

구조 계산 물성

극성 표면적: 104 Å²
수소 결합 공여자 수: 4
수소 결합 수용자 수: 5
회전 가능 결합 수: 4
무거운 원자 수: 15
형식 전하: 0
복잡도: 216

물리화학적 성질

녹는점: 285 · 285-293℃ (dec.)
끓는 점: 449.3 · 449.3±55.0 °C(Predicted)
밀도: 1.34 · 1.34±0.1 g/cm3 (20 ºC 760 Torr)
저장 조건: 2 · Inert atmosphere,2-8°C
용해도: 산성 용액(약간 용해됨)
산도 계수 (pKa): 2.2 · 2.20±0.10(Predicted)
물리적 상태: 가루
색상: 흰색에서 황백색까지
BRN: 4458616 · 4458616
InChI: InChI=1S/C9H12BNO4/c11-8(9(12)13)5-6-1-3-7(4-2-6)10(14)15/h1-4,8,14-15H,5,11H2,(H,12,13)/t8-/m0/s1
InChIKey: NFIVJOSXJDORSP-QMMMGPOBSA-N
SMILES: C(O)(=O)[C@H](CC1=CC=C(B(O)O)C=C1)N

화학적 성질

white to off-white powder

안전 및 규제

GHS 분류

GHS Classification · 4건

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

wgk: 3
HS 번호: 29310099
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-37/39
위험 등급: IRRITANT
F 고인화성물질: 1-10
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

약리 정보

MeSH Pharmacological ClassificationDrugs used to potentiate the effectiveness of radiation therapy in destroying unwanted cells.

상·하류 제품 정보

상류 원료

L-Phenylalanine, 4-borono-N,N-bis(phenylmethyl)-, α-(phenylmethyl) ester (9CI)L-Phenylalanine, 4-borono-N-[(phenylmethoxy)carbonyl]- (9CI)Cbz-4-요오도-L-페닐알라닌 (S)-벤질2-(벤질옥시카르보닐아미노)-3-(4-(트리플루오로메틸술포닐옥시)페닐)프로파노에이트 (S)-3-(4-보로노페닐)-2-((tert-부톡시카르보닐)아미노)프로파노산 Z-TYR-OBZL (S)-4-(3-(벤질옥시)-2-(벤질옥시카르보닐아미노)-3-옥소프로필)페닐보론산 물 염산 수소

공급사50 곳

郑州阿尔法化工有限公司+86-18530059196 · [email protected]

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]

Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]

湖北万得化工有限公司15377098680 15377098680 · [email protected]

成都超九八生物科技有限公司13348960310 13348960310 · [email protected]

연결된 노트

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