Colivelin - 10mM in Water , CAS No.867021-83-8

CAS: 867021-83-8 Cat. No.: C426452 分子式: C₁₁₉H₂₀₆N₃₂O₃₅ 分子量: 2645.13 PubChem CID: 90477169

GRADE & PURITY 10mM in Water

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

仕様と純度

10mM in Water

生化学的・生理学的メカニズム

Neuroprotective peptide and activator of STAT3. Protects neurons against the neurotoxic effects of amyloidβ-peptide (1-43) at a concentration of 100 fMin vitro. Suppresses neuronal death by activating STAT3in vitro; upregulates cholinergic transmission an

保管条件

Store at -80°C

入荷

Dry ice packs + Cold packs

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

アクションタイプ

ACTIVATOR

名前と識別子

• パブケム・シド: 528763928
• カノニカル・スマイル: CCC(C)C(C(=O)NC(CC(=O)O)C(=O)NC(CC(C)C)C(=O)N1CCCC1C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CNC(=O)C(C(C)O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)C(CO)NC(=O)C(C)NC(=O)CNC(=O)C(C)NC(=O)C2CCCN2C(=O)C(C)NC(=O)C3CCCN3C(=O)C(C(C)CC)NC(=O)C(CO)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(CO)N
• IUPAC Name: (2S)-1-[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]acetyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carboxylic acid
• InChIKey: PTTAQOYOJJTWFD-IBAOLXMASA-N
• INCHI: 1S/C119H206N32O35/c1-24-63(17)91(113(181)142-80(50-90(160)161)106(174)143-81(49-62(15)16)115(183)151-42-30-35-86(151)117(185)186)146-100(168)73(36-37-89(158)159)133-88(157)52-128-112(180)93(69(23)155)148-107(175)79(48-61(13)14)141-105(173)78(47-60(11)12)140-104(172)77(46-59(9)10)139-103(171)76(45-58(7)8)137-98(166)71(31-26-38-125-118(121)122)135-108(176)82(54-153)144-95(163)66(20)129-87(156)51-127-94(162)65(19)131-110(178)84-33-28-40-149(84)114(182)68(22)132-111(179)85-34-29-41-150(85)116(184)92(64(18)25-2)147-109(177)83(55-154)145-99(167)72(32-27-39-126-119(123)124)134-101(169)75(44-57(5)6)138-102(170)74(43-56(3)4)136-96(164)67(21)130-97(165)70(120)53-152/h56-86,91-93,152-155H,24-55,120H2,1-23H3,(H,127,162)(H,128,180)(H,129,156)(H,130,165)(H,131,178)(H,132,179)(H,133,157)(H,134,169)(H,135,176)(H,136,164)(H,137,166)(H,138,170)(H,139,171)(H,140,172)(H,141,173)(H,142,181)(H,143,174)(H,144,163)(H,145,167)(H,146,168)(H,147,177)(H,148,175)(H,158,159)(H,160,161)(H,185,186)(H4,121,122,125)(H4,123,124,126)/t63-,64-,65-,66-,67-,68-,69+,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,91-,92-,93-/m0/s1
• 異性体SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@@H]3CCCN3C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)N
• PubChem CID: 90477169
• 分子量: 2645.13

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic Polymers
    • 分類 Polypeptides

• Kingdom: Organic compounds
• Superclass: Organic Polymers
• 分類: Polypeptides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Polypeptides
• Alternative Parents: Peptides Arginine and derivatives Glutamic acid and derivatives Aspartic acid and derivatives Isoleucine and derivatives Leucine and derivatives N-acyl-L-alpha-amino acids Proline and derivatives Serine and derivatives Alpha amino acid amides Alanine and derivatives Tricarboxylic acids and derivatives N-acylpyrrolidines Pyrrolidinecarboxamides Pyrrolidine carboxylic acids N-acyl amines Tertiary carboxylic acid amides Guanidines Amino acids Secondary alcohols Secondary carboxylic acid amides Azacyclic compounds Carboximidamides Carboxylic acids Primary alcohols Hydrocarbon derivatives Imines Carbonyl compounds Organic oxides Monoalkylamines
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Polypeptide - Alpha peptide - Arginine or derivatives - Glutamic acid or derivatives - Aspartic acid or derivatives - Leucine or derivatives - Isoleucine or derivatives - N-acyl-l-alpha-amino acid - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - Proline or derivatives - Serine or derivatives - Alpha-amino acid amide - Alanine or derivatives - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Tricarboxylic acid or derivatives - N-acylpyrrolidine - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-2-carboxamide - Fatty acyl - Fatty amide - N-acyl-amine - Pyrrolidine - Tertiary carboxylic acid amide - Secondary carboxylic acid amide - Secondary alcohol - Amino acid or derivatives - Carboxamide group - Amino acid - Guanidine - Organoheterocyclic compound - Carboximidamide - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organic oxygen compound - Imine - Primary aliphatic amine - Hydrocarbon derivative - Alcohol - Organonitrogen compound - Organooxygen compound - Carbonyl group - Primary alcohol - Amine - Organic oxide - Primary amine - Organic nitrogen compound - Aliphatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as polypeptides. These are peptides containing ten or more amino acid residues.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

化学的性質と物理的性質

• 分子量: 2645.100 g/mol
• XLogP3: -4.100
• Hydrogen Bond Donor Count: 36
• Hydrogen Bond Acceptor Count: 38
• Rotatable Bond Count: 85
• Exact Mass: 2644.54 Da
• Monoisotopic Mass: 2643.53 Da
• Topological Polar Surface Area: 1040.000 Ų
• Heavy Atom Count: 186
• Formal Charge: 0
• Complexity: 5960.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 27
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

参考文献

1. Yan Zhang, Kun Dai, Dedong Xu, Hua Fan, Nannan Ji, Di Wang, Yunlu Zhao, Rui Liu.  (2023)  Saikosaponin A alleviates glycolysis of breast cancer cells through repression of Akt/STAT3 pathway.  Chemical Biology & Drug Design,  102  (1): (115-125).  [PMID:37088850] [10.1111/cbdd.14259]

2. Jing Yang, Xiaoli Xie.  (2021)  Tofacitinib protects intestinal epithelial cells against oxygen‑glucose deprivation/reoxygenation injury by inhibiting the JAK/STAT3 signaling pathway.  Experimental and Therapeutic Medicine,  22  (4): (1-10).  [PMID:34504562] [10.3892/etm.2021.10542]