識別子と物理属性
| CAS No. | 1820673-23-1 |
|---|
| 分子式 | C16H19N3O5S |
|---|
| 平均分子量 | 365.4 g/mol |
|---|
| 単同位体質量 | 365.10454171 g/mol |
|---|
| SMILES | CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1.O |
|---|
| InChIKey | AVGYWQBCYZHHPN-CYJZLJNKSA-N |
|---|
| PubChem CID | 62921 |
|---|
| ChEBI | CHEBI:3535 |
|---|
| EC No. | 629-748-1 |
|---|
| DTXSID | DTXSID30945995 |
|---|
化学・物理的性質
| 極性表面積 | 139 |
|---|
| 水素結合供与体数 | 4 |
|---|
| 水素結合受容体数 | 7 |
|---|
| 回転可能結合数 | 4 |
|---|
| 重原子数 | 25 |
|---|
| 形式電荷 | 0 |
|---|
| 複雑度 | 600 |
|---|
| 溶解度 | DMSO、メタノールに可溶。 |
|---|
| 外観・状態 | Powder |
|---|
| 安定性 | Unstable in Solution |
|---|
| 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 |
|---|
| InChIKey | AVGYWQBCYZHHPN-FNOHQHCYSA-N |
|---|
| SMILES | S1C2N(C(=C(C1)C)C(=O)O)C(=O)[C@H]2NC(=O)[C@H](N)c3ccccc3.O |
|---|
安全性と法規制
| GHS 分類 | 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] |
|---|
| 規制情報 | Cephalexin: Does not have an individual approval but may be used under an appropriate group standard |
|---|
| その他の安全情報 | 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 |
|---|
| Hazard Classes and Categories | Acute Tox. 4 (20%)Skin Sens. 1 (100%) |
|---|
| 水環境危害等級（WGK） | WGK 3 |
|---|
| 危険等級 | Resp. Sens. 1Skin Sens. 1 |
|---|
| 貯蔵分類 | 11 - Combustible Solids |
|---|
用途
使用
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.
