≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C,Desiccated Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
PD-1-IN-17 is a programmed cell death-1 ( PD-1 ) inhibitor extracted from patent WO2015033301A1, Compound 12, inhibits 92% splenocyte proliferation at 100 nM
Form:Solid
IC50& Target:PD-1
| Canonical Smiles | CC(C(C1=NN=C(O1)C(CCC(=O)N)NC(=O)NC(CO)C(=O)O)N)O |
|---|---|
| IUPAC Name | (2S)-2-[[(1S)-4-amino-1-[5-[(1S,2R)-1-amino-2-hydroxypropyl]-1,3,4-oxadiazol-2-yl]-4-oxobutyl]carbamoylamino]-3-hydroxypropanoic acid |
| InChIKey | SRNQPYBWRIETFQ-XKBZYTNZSA-N |
| INCHI | 1S/C13H22N6O7/c1-5(21)9(15)11-19-18-10(26-11)6(2-3-8(14)22)16-13(25)17-7(4-20)12(23)24/h5-7,9,20-21H,2-4,15H2,1H3,(H2,14,22)(H,23,24)(H2,16,17,25)/t5-,6+,7+,9+/m1/s1 |
| Isomeric SMILES | C[C@H]([C@@H](C1=NN=C(O1)[C@H](CCC(=O)N)NC(=O)N[C@@H](CO)C(=O)O)N)O |
| PubChem CID | 131998882 |
| Molecular Weight | 374.35 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Intermediate Tree Nodes | Amino acids and derivatives - Alpha amino acids and derivatives - N-carbamoyl-alpha amino acids and derivatives |
| Direct Parent | N-carbamoyl-alpha amino acids |
| Alternative Parents | Serine and derivatives Beta hydroxy acids and derivatives Fatty amides Heteroaromatic compounds 1,3,4-oxadiazoles Secondary alcohols Organic carbonic acids and derivatives Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | N-carbamoyl-alpha-amino acid - Serine or derivatives - Beta-hydroxy acid - Fatty acyl - Hydroxy acid - Fatty amide - Heteroaromatic compound - Oxadiazole - Azole - 1,3,4-oxadiazole - Secondary alcohol - Carbonic acid derivative - Carboxamide group - Oxacycle - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Alcohol - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as n-carbamoyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an carbamoyl group at its terminal nitrogen atom. |
| External Descriptors | Not available |
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Solubility | DMSO : 125 mg/mL (333.91 mM; Need ultrasonic) H2O : ≥ 100 mg/mL (267.13 mM) |
|---|---|
| Molecular Weight | 374.350 g/mol |
| XLogP3 | -6.700 |
| Hydrogen Bond Donor Count | 7 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 10 |
| Exact Mass | 374.155 Da |
| Monoisotopic Mass | 374.155 Da |
| Topological Polar Surface Area | 227.000 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 507.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 4 |
| 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 |
