(4-(((2-Imino-4-Oxo-1,2,3,4,7,8-Hexahydropteridin-6-Yl)Methyl)Amino)Benzoyl)-L-Glutamicacid (S)-2-(4-(((2-氨基-4-氧代-3,4,7,8-四氢蝶呤-6-基)甲基)氨基)苯甲酰氨基)戊二酸

CAS 4033-27-6 MFCD00083619

化学结构图

4033-27-6
SMILES: Nc1nc2c(c(=O)[nH]1)N=C(CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)CN2

化学属性

Mol. FormulaC19 H21 N7 O6
Mol. Weight443.41
Melting Point>160C (dec.)
Boiling Point

别名和识别编码

Chemical Name(4-(((2-Imino-4-Oxo-1,2,3,4,7,8-Hexahydropteridin-6-Yl)Methyl)Amino)Benzoyl)-L-Glutamicacid
Synonym Dihydro Folic Acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
MDL NumberMFCD00083619
PubChem Substance ID135398604
Beilstein Registry Number69017
CAS Number4033-27-6
Chemical Name Translation(S)-2-(4-(((2-氨基-4-氧代-3,4,7,8-四氢蝶呤-6-基)甲基)氨基)苯甲酰氨基)戊二酸
LabNetwork Molecule IDLN01286852
InChIInChI=1S/C19H21N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,12,21H,5-8H2,(H,24,29)(H,27,28)(H,31,32)(H4,20,22,25,26,30)/t12-/m0/s1
Canonical SMILESO=C(O)CC[C@@H](C(O)=O)NC(C1=CC=C(NCC2=NC3=C(N=C(N)NC3=O)NC2)C=C1)=O
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分类

  • {SNA} Application Index, Bioactive Small Molecules, Biochemicals and Reagents, Cell Signaling Enzymes, Cofactors, DIG-DY, Dihydrofolate reductase, Enzymes, Inhibitors, and Substrates, Folic Acid Metabolism, Metabolic Pathways, Oxidation-Reduction, Substrate/Cofactor, 代谢组学, 细胞生物学
  • {SNA} Application Index, Cell Signaling Enzymes, Cofactors, Dihydrofolate reductase, Oxidation-Reduction, Substrate/Cofactor, 代谢组学, 代谢通路, 叶酸代谢, 生化试剂, 细胞生物学, 酶、抑制剂和底物
  • {SA} Application Index,

相关文献及参考

  • Yoshikawa, T., et al., Amplified gene location in chromosomal DNA affected recombinant protein production and stability of amplified genes. Biotechnol. Prog. 16 , 710-5, (2000) 摘要
  • Yoshikawa, T., et al., Flow cytometry: an improved method for the selection of highly productive gene-amplified CHO cells using flow cytometry. Biotechnol. Bioeng. 74 , 435-42, (2001) 摘要
  • Nzila A., Inhibitors of de novo folate enzymes in Plasmodium falciparum. Drug Discov. Today 11 , 939-944, (2006) 摘要
  • Gangjee A, Kurup S, Namjoshi O., Dihydrofolate reductase as a target for chemotherapy in parasites. Curr. Pharm. Des. 13 , 609-639, (2007) 摘要
  • Abali EE, Skacel NE, Celikkaya H, Hsieh YC., Regulation of human dihydrofolate reductase activity and expression. Vitam. Horm. 79 , 267-292, (2008) 摘要
  • Beil. 26 ,IV,3934

安全信息

WGK Germany3
GHS Symbol
Precautionary statements
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P305+P351+P338
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Hazard Codes Xi
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Signal word Warning
Safety Statements
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
Storage condition - 86 - 86℃ -20°C -86°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {

系列性分类

  1. Life Science 生命科学
  2. Biochemicals and Reagents 生化试剂
  3. Enzymes, Inhibitors, and Substrates - Biochemicals and Reagents
  4. Cofactors - Enzymes, Inhibitors, and Substrates
  5. Oxidation-Reduction - Cofactors
  1. Life Science 生命科学
  2. Biochemicals and Reagents 生化试剂
  3. Enzymes, Inhibitors, and Substrates - Biochemicals and Reagents
  4. Application Index - Enzymes, Inhibitors, and Substrates
  5. Cell Signaling Enzymes - Application Index
  6. Dihydrofolate reductase - Cell Signaling Enzymes
  7. Substrate/Cofactor - Dihydrofolate reductase
  1. Medical Research Areas
  2. Metabolism
  3. Endogenous Metabolite  (内源性代谢物)

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