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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 3813Generated: November 4, 2026

Methyl 16-hydroxy-15-methyl-3-oxo-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaene-16-carboxylate

k252 · K-252A · K-252a,98% · K252a, 99.5% · PubChem ID: 3813 · K-252A, NOCARDIOPSIS SP · PROTEIN KINASE INHIBITOR · K-252a,from Nocardiopsis sp.

https://huagongshe.com/en/chemical/3813

Methyl 16-hydroxy-15-methyl-3-oxo-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaene-16-carboxylate molecular structure

Identifiers & Physical Properties

CAS No.97161-97-2
Molecular formulaC27H21N3O5
Average molar mass467.5 g/mol
Monoisotopic mass467.14812078 g/mol
SMILESCOC(=O)C1(O)CC2OC1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4
InChIKeyKOZFSFOOLUUIGY-UHFFFAOYSA-N
PubChem CID3813
ChEMBLCHEMBL1591330
EC No.695-544-4

Chemical & Physical Properties

XLogP2.8
Topological polar surface area94.7
Hydrogen bond donors2
Hydrogen bond acceptors5
Rotatable bonds2
Heavy atoms35
Formal charge0
Complexity976
Melting point262-2630C
Storage conditions−20°C
SolubilityDMF: 1 mg/mL
Physical stateWhite solid
ColorWhite to Pale Yellow
InChIKeyKOZFSFOOLUUIGY-UHFFFAOYSA-N
SMILES[n]21c3c4[n](c6c(c4c7c(c3c8c2cccc8)CNC7=O)cccc6)C5OC1(C(C5)(O)C(=O)OC)C
FDA UNIIIV7H45AM5B
UNSPSC Code12352202
NACRESNA.77
GHS pictogramGHS07
Signal wordWarning
GHS hazard statementsH335-H315-H319
GHS precautionary statementsP264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Safety statements (S)22-24/25
Water hazard class (WGK)3
RTECS numberNZ0550000
F8-10
Customs code29349990
Storage class10 - Combustible liquids

Safety & Regulations

GHS classificationWarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
F8-10
Water hazard class (WGK)3
RTECS numberNZ0550000
Customs code29349990
Signal wordWarning
GHS pictogramGHS07
Safety statements (S)22-24/25
Storage class10 - Combustible liquids
GHS hazard statementsH335-H315-H319
GHS precautionary statementsP264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Applications & Uses

Uses

Protein kinase inhibitor