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Product details

名称

LY 345899

英文名称

LY 345899

货号

L647218-5mg

包装规格

5mg

浓度

≥98%

储存温度

-20°C储存

运输条件

超低温冰袋运输

产品介绍

LY 345899 is a Folate analog and is a methylene tetrahydrofolate dehydrogenase ( MTHFD1 ; DC301 ) and MTHFD2 inbhibitor with IC 50 values of 96 nM and 663 nM, respectively and a K i of 18 nM for MTHFD1 In Vitro LY 345899 could suppress the MTHFD enzyme in the cytoplasm and mitochondria . LY 345899 could disturb the NADPH and redox homeostases and accelerate cell death under oxidative stress, such as hypoxia, or causing in vitro anchorage independence and in vivo impaired tumor growth and metastasis . MCE has not independently confirmed the accuracy of these methods. They are for reference only. In Vivo LY345899 (Intraperitoneal injection; 5-10 mg/kg; 5 d/wk; 4 weeks) shows potent antitumor activity and displays therapeutic activity against CRC in vivo . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: SW620 or PDX-based BABL/c nude colorectal cancer (CRC) modelDosage: 5-10 mg/kg Administration: Intraperitoneal injection; 5-10 mg/kg; 5 d/wk; 4 weeks Result: Displayed lower cell proliferation indices and higher cell apoptosis. Exhibited no statistically significant weight loss or other signs of acute or delayed toxicity in mice. Form:Solid IC50& Target:Ki: 18 nM (MTHFD1),IC50: 96 nM (MTHFD1) and 663 nM (MTHFD2)

生化机理

LY 345899 是叶酸类似物，是亚甲基四氢叶酸脱氢酶（MTHFD1；DC301）和 MTHFD2 的抑制剂，其 IC 50 值分别为 96 nM 和 663 nM，对 MTHFD1 的 K i 为 18 nM。

CAS号

10538-99-5

分子式

C20H21N7O7

分子量

471.4 g/mol

PubChem编号

135484014

IIUPAC Name

(2S)-2-[[4-(3-amino-1,9-dioxo-5,6,6a,7-tetrahydro-2H-imidazo[1,5-f]pteridin-8-yl)benzoyl]amino]pentanedioic acid

INCHI

1S/C20H21N7O7/c21-19-24-15-14(17(31)25-19)27-11(7-22-15)8-26(20(27)34)10-3-1-9(2-4-10)16(30)23-12(18(32)33)5-6-13(28)29/h1-4,11-12H,5-8H2,(H,23,30)(H,28,29)(H,32,33)(H4,21,22,24,25,31)/t11?,12-/m0/s1

InChi Key

JSNFRYBHBVDHSG-KIYNQFGBSA-N

Smiles

C1C2CN(C(=O)N2C3=C(N1)N=C(NC3=O)N)C4=CC=C(C=C4)C(=O)NC(CCC(=O)O)C(=O)O

PubChem CID

135484014

MeSH Entry Terms

5,6,7,8-tetrahydro-N(5),N(10)-carbonylfolic acid;LY 354899;LY-354899

溶解性

DMSO : 125 mg/mL (265.16 mM; Need ultrasonic)

氢键供体数Hydrogen Bond Donor Count

氢键受体数Hydrogen Bond Acceptor Count

可旋转键计数Rotatable Bond Count

精确质量Exact Mass

471.15 Da

单同位素质量Monoisotopic Mass

471.15 Da

拓扑极表面积Topological Polar Surface Area

207.000 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

986

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

XLogP3

-1.6

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

Articles

「No related articles yet」

user reviews

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