3-(2-피리딜디티오)프로피온산 N-하이드록시숙신이미드 에스테르

N-Succinimidyl 3-(2-pyridyldithio)propionate

HCID 100682CAS 68181-17-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C(CCSSc1ccccn1)ON1C(=O)CCC1=O
InChIKey: JWDFQMWEFLOOED-UHFFFAOYSA-N
분자식: C12H12N2O4S2
평균 분자량: 312.4 g/mol
단동위원소 질량: 312.02384886

개요

heterobifunctional reagent

이름 및 식별자

우선 이름: N-Succinimidyl 3-(2-pyridyldithio)propionate
IUPAC: (2,5-dioxopyrrolidin-1-yl) 3-(pyridin-2-yldisulfanyl)propanoate
현지명: 3-(2-피리딜디티오)프로피온산 N-하이드록시숙신이미드 에스테르
영어명: SPDP
분자식: C12H12N2O4S2
분자량: 312.36

이름 및 동의어

SPDP68181-17-9N-Succinimidyl 3-(2-pyridyldithio)propionate2OHG8V08NLNSC-3444851-(1-Oxo-3-(2-pyridyldithio)propoxy)pyrrolidine-2,5-dione2,5-Pyrrolidinedione, 1-(1-oxo-3-(2-pyridinyldithio)propoxy)-DTXSID60218366N-SUCCINIMIDYL 3-[2-PYRIDYLDITHIO]PROPIONATESIPDTPRefChem:164199DTXCID80140857

이름 더 보기

3-(2-피리딜디티오)프로피온산N-하이드록시숙신이미드에스테르SUCCINIMIDYL 3-(2-PYRIDYLDITHIO)PROPIONATE2,5-dioxopyrrolidin-1-yl 3-(pyridin-2-yldisulfaneyl)propanoatePDPH,SPDPSPDP (SPDP Crosslinker)3-(2-PYRIDYLDITHIO)-PROPIONIC ACID-OSU3-(Pyridin-2-yldisulfanyl)-propionic acid-OS

N-succinilimidyl 3-(2-pyridylthio)propionate269-034-33-(2-Pyridyldithio)propionic acid N-hydroxysuccinimide esterSPDP NHS ester2,5-dioxopyrrolidin-1-yl 3-(pyridin-2-yldisulfanyl)propanoateSPDP Crosslinker3-(2-Pyridyldithio)propionic Acid N-Succinimidyl EsterMFCD00009636

데이터베이스 식별자

CAS: 68181-17-9
PubChem CID: 100682
DTXSID: DTXSID60218366
UNII: 2OHG8V08NL
EC Number: 269-034-3
Nikkaji: J317.385B

물성

구조 계산 물성

XLogP: 0.7
극성 표면적: 127 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 7
회전 가능 결합 수: 7
무거운 원자 수: 20
형식 전하: 0
복잡도: 376

물리화학적 성질

녹는점: 84 · 84-86 °C(lit.)
끓는 점: 465.9 · 465.9±55.0 °C(Predicted)
밀도: 1.48 · 1.48±0.1 g/cm3(Predicted)
저장 조건: -20 °C · -20°C
용해도: 50 mg/mL · 아세톤: 50mg/mL
물리적 상태: 가루
산도 계수 (pKa): 1.76 · 1.76±0.19(Predicted)
색상: 흰색에서 밝은 노란색
BRN: 1548137 · 1548137
안정성: 흡습성, 수분 민감성
InChI: InChI=1S/C12H12N2O4S2/c15-10-4-5-11(16)14(10)18-12(17)6-8-19-20-9-3-1-2-7-13-9/h1-3,7H,4-6,8H2
InChIKey: JWDFQMWEFLOOED-UHFFFAOYSA-N
SMILES: C(ON1C(=O)CCC1=O)(=O)CCSSC1=NC=CC=C1

화학적 성질

White Solid

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)

Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information2,5-Pyrrolidinedione, 1-1-oxo-3-(2-pyridinyldithio)propoxy-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 29333990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
F 고인화성물질: 1-10
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

약리 정보

MeSH Pharmacological Classification · 1건

Reagents with two reactive groups, usually at opposite ends of the molecule, that are capable of reacting with and thereby forming bridges between side chains of amino acids in proteins; the locations of naturally reactive areas within proteins can thereby be identified; may also be used for other macromolecules, like glycoproteins, nucleic acids, or other.

응용 분야 · 2건

용도3-(2-Pyridyldithio)propionic acid N-hydroxysuccinimide ester (SPDP) is useful for the preparation of enzyme immunoconjugates and hapten carrier molecule conjugates.It has been used for antibody conjugation and as a protein cross-linker.

일반 설명3-(2-Pyridyldithio)propionic acid N-hydroxysuccinimide ester (SPDP) is a heterobifunctional cross-linking reagent with amine and sulfhydryl reactivity. It is typically coupled initially to molecules containing primary amines by amide bonds buffered at pH 7.5 (6.5-8.5). Second coupling specific for molecules containing free sulfhydryl by thiol-disulfide exchange buffered at pH 8.0 (7.5-8.5). Alternately, this reagent may be used as a protected thiolating reagent following initial coupling and reduction of linker. It incorporates four atom linker.