D-jnki-1
基本情報
- CAS
1198367-70-2- 標準SMILES
CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CO)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](N)CC(=O)O)C(C)C)C(=O)N[C@H](CC(N)=O)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N1CCC[C@@H]1C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCCN)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H]1C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)NCC(=O)O)[C@H](C)O)[C@H](C)O- InChIKey
HRMVIAFZYCCHGF-BMCUWHFPSA-N- 分子式
- C164H285N65O41
- 平均分子量
- 3,823.4 g/mol
- 単同位体質量
- 3,821.2214438
概要
A synthetic, cell permeable peptide that blocks the MAPK-JNK signal pathway; has potential therapeutic value for long-term protection of both the morphological integrity and physiological function of the organ of Corti during times of oxidative stress.
名称と識別子
- 優先名称
- D-jnki-1
- IUPAC
- (3R)-3-amino-4-[[(2R)-5-amino-1-[[(2R)-1-[[(2R)-1-[(2R)-2-[[(2R)-1-[[(2R)-5-amino-1-[(2R)-2-[[(2R)-1-[[(2R)-1-[[(2R)-4-amino-1-[[(2R)-1-[[(2R,3S)-1-[[(2R,3S)-1-[(2R)-2-[[(2R)-1-[[(2R)-6-amino-1-[(2R)-2-[[(2R)-1-[(2R)-2-[(2R)-2-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-5-amino-1-[[(2R)-1-[[(2R)-1-[[(2R)-6-amino-1-[[(2R)-6-amino-1-[[(2R)-5-carbamimidamido-1-(carboxymethylamino)-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-5-carbamimidamido-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1,5-dioxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-oxobutanoic acid
- 英語名
- C-JUN N-TERMINAL KINASE PEPTIDE INHIBITOR 1, D-STEREOISOMER
- 分子式
- C164H285N65O41
- 分子量
- 3823.4286
名称と別名
AM111 peptideXG102 peptideAM-111XG-102 C-terminal acid1198367-70-2Brimapitide, c-terminal acidFU288768DPD-JNKI1RefChem:130640D-jnki-1AM 111XG 102
名称をさらに表示
XG-102D-JNK1D-JNKI-1,AM-111,XG-102JNK INHIBITOR 1, D-ISOMERD-JNK INHIBITOR 1 (D-STEREOISOMER)C-JUN N-TERMINAL KINASE PEPTIDE INHIBITOR 1, D-STEREOISOMER
D-JNKI 1 peptideD-JNKI 1UNII-FU288768DPTAT-IB1 fusion peptide XG-102 (synthetic)HIV TAT-JIP-1 fusion peptide XG-102 (synthetic)CHEMBL4297348SCHEMBL29361331D-ASP-D-GLN-D-SER-D-ARG-D-PRO-D-VAL-D-GLN-D-PRO-D-PHE-D-LEU-D-ASN-D-LEU-D-THR-D-THR-D-PRO-D-ARG-D-LYS-D-PRO-D-ARG-D-PRO-D-PRO-D-ARG-D-ARG-D-ARG-D-GLN-D-ARG-D-ARG-D-LYS-D-LYS-D-ARG-GLY
データベース識別子
- CAS
1198367-70-2- PubChem CID
- 72941992
- ChEMBL
CHEMBL4297348- UNII
- FU288768DP
物性
構造計算による物性
- XLogP
- -22.5
- 極性表面積
- 1,790 Ų
- 水素結合供与体数
- 64
- 水素結合受容体数
- 54
- 回転可能結合数
- 135
- 重原子数
- 270
- 形式電荷
- 0
- 複雑度
- 9,220
化学と産業
薬理情報
Mechanism of ActionAM-111 is an inhibitor of c-Jun N-terminal kinase-mediated apoptosis and inflammation.
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化合物ノート
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