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SHMT-IN-3 , CAS No.330638-43-2
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Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
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Why this grade
for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Storage & shipping
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
Quality documents
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Literature proof
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Overview
SHMT-IN-3 (Hit 1) is a SHMT1 and SHMT2 inhibitor with an IC50 of 0.53 µM for human SHMT1. SHMT-IN-3 exhibits noncompetitive inhibition against serine.
Specifications
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers
| Canonical Smiles | C1=CC(=CC=C1C2=NC(=NC=C2)C3=CC=C(C=C3)NC(=O)CCC(=O)O)NC(=O)CCC(=O)O |
|---|---|
| IUPAC Name | 4-[4-[2-[4-(3-carboxypropanoylamino)phenyl]pyrimidin-4-yl]anilino]-4-oxobutanoic acid |
| InChIKey | LZRQXDAEFLBXCL-UHFFFAOYSA-N |
| INCHI | 1S/C24H22N4O6/c29-20(9-11-22(31)32)26-17-5-1-15(2-6-17)19-13-14-25-24(28-19)16-3-7-18(8-4-16)27-21(30)10-12-23(33)34/h1-8,13-14H,9-12H2,(H,26,29)(H,27,30)(H,31,32)(H,33,34) |
| Isomeric SMILES | C1=CC(=CC=C1C2=NC(=NC=C2)C3=CC=C(C=C3)NC(=O)CCC(=O)O)NC(=O)CCC(=O)O |
| Alternate CAS | 330638-43-2 |
| PubChem CID | 2712855 |
Documentation
📋 Safety Data Sheet (SDS)
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →✅ Certificate of Analysis (COA)
Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →🔬 Specification Sheet
Full quality attributes and acceptance criteria for this grade.
View spec sheet →Advanced Data
3D Structure
Interactive Chemical Structure Model
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Solution Calculators
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