3-(2-피리딜디티오)프로피온산 N-하이드록시숙신이미드 에스테르
3-(2-피리딜디티오)프로피온산N-하이드록시숙신이미드에스테르 · SUCCINIMIDYL 3-(2-PYRIDYLDITHIO)PROPIONATE · 2,5-dioxopyrrolidin-1-yl 3-(pyridin-2-yldisulfaneyl)propanoate · SPDP · PDPH,SPDP · SPDP NHS ester · SPDP Crosslinker · SPDP (SPDP Crosslinker)
식별자 및 물리적 특성
| CAS No. | 68181-17-9 |
|---|---|
| 분자식 | C12H12N2O4S2 |
| 평균 분자량 | 312.4 g/mol |
| 단동위원소 질량 | 312.02384886 g/mol |
| SMILES | O=C(CCSSc1ccccn1)ON1C(=O)CCC1=O |
| InChIKey | JWDFQMWEFLOOED-UHFFFAOYSA-N |
| PubChem CID | 100682 |
| EC No. | 269-034-3 |
| DTXSID | DTXSID60218366 |
| 현지명 | 3-(2-피리딜디티오)프로피온산 N-하이드록시숙신이미드 에스테르 |
화학 및 물리적 성질
| XLogP | 0.7 |
|---|---|
| 극성 표면적 | 127 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 7 |
| 회전 가능 결합 수 | 7 |
| 무거운 원자 수 | 20 |
| 형식 전하 | 0 |
| 복잡도 | 376 |
| 녹는점 | 84-86 °C(lit.) |
| 끓는 점 | 465.9±55.0 °C(Predicted) |
| 밀도 | 1.48±0.1 g/cm3(Predicted) |
| 저장 조건 | -20°C |
| 용해도 | 아세톤: 50mg/mL |
| 물리적 상태 | 가루 |
| pKa(산도 계수) | 1.76±0.19(Predicted) |
| 색상 | 흰색에서 밝은 노란색 |
| BRN | 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 | WarningH315 (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. |
|---|---|
| 규제 정보 | 2,5-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 Categories | Skin Irrit. 2 (100%) |
| 수질 위해 등급(WGK) | 3 |
| 관세 코드 | 29333990 |
| 위험 문구(R) | 36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 26-36 |
| F 고인화성물질 | 1-10 |
| 저장 분류 | 11 - Combustible Solids |
용도
용도
3-(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 설명
3-(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.