식별자 및 물리적 특성
| CAS No. | 1820673-23-1 |
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| 분자식 | C16H19N3O5S |
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| 평균 분자량 | 365.4 g/mol |
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| 단동위원소 질량 | 365.10454171 g/mol |
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| SMILES | CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1.O |
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| InChIKey | AVGYWQBCYZHHPN-CYJZLJNKSA-N |
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| PubChem CID | 62921 |
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| ChEBI | CHEBI:3535 |
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| EC No. | 629-748-1 |
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| DTXSID | DTXSID30945995 |
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화학 및 물리적 성질
| 극성 표면적 | 139 |
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| 수소 결합 공여자 수 | 4 |
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| 수소 결합 수용자 수 | 7 |
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| 회전 가능 결합 수 | 4 |
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| 무거운 원자 수 | 25 |
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| 형식 전하 | 0 |
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| 복잡도 | 600 |
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| 용해도 | DMSO와 메탄올에 용해됩니다. |
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| 물리적 상태 | 가루 |
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| 안정성 | 솔루션이 불안정함 |
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| InChI | 1S/C16H17N3O4S.H2O/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9/h2-6,10-11,15H,7,17H2,1H3,(H,18,20)(H,22,23)1H2/t10-,11-,15/m1./s1 |
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| InChIKey | AVGYWQBCYZHHPN-FNOHQHCYSA-N |
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| SMILES | S1C2N(C(=C(C1)C)C(=O)O)C(=O)[C@H]2NC(=O)[C@H](N)c3ccccc3.O |
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안전 및 규제
| GHS 분류 | DangerH302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]P203, P233, P260, P261, P264, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P318, P321, P330, P333+P317, P342+P316, P362+P364, P403, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 10 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] |
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| 규제 정보 | Cephalexin: Does not have an individual approval but may be used under an appropriate group standard |
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| 기타 안전 정보 | IMAP assessments - 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[(aminophenylacetyl)amino]-3-methyl-8-oxo-, monohydrate, [6R-[6.alpha.,7.beta.(R*)]]-: Environment tier I assessment |
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| Hazard Classes and Categories | Acute Tox. 4 (20%)Skin Sens. 1 (100%) |
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| 수질 위해 등급(WGK) | WGK 3 |
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| 위험 등급 | Resp. Sens. 1Skin Sens. 1 |
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| 저장 분류 | 11 - Combustible Solids |
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용도
용도
Cephalexin is a cephalosporin antibiotic used to study the effect of expression, binding, and inhibition of PBP3 and other penicillin-binding proteins (PBPs) on bacterial cell wall mucopeptide synthesis. Cephalexin disrupts the synthesis of the peptidoglycan layer of bacterial cell walls which is responsible for cell wall structural integrity. Peptidoglycan synthesis is facilitated by transpeptidases known as penicillin-binding proteins (PBPs). PBPs bind to the D-Ala-D-Ala at the end of muropeptides (peptidoglycan precursors) to crosslink the peptidoglycan. Cephalexin antibiotics mimic the D-Ala-D-Ala site, thereby competitively inhibiting PBP crosslinking of peptidoglycan.
