Basic information
- CAS
97161-97-2- Standard SMILES
COC(=O)C1(O)CC2OC1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4- InChIKey
KOZFSFOOLUUIGY-UHFFFAOYSA-N- Molecular formula
- C27H21N3O5
- Average molar mass
- 467.5 g/mol
- Monoisotopic mass
- 467.14812078
Overview
k-252a has been reported in Streptomyces longisporoflavus with data available.
Names & identifiers
- Preferred name
- 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
- IUPAC
- 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
- English name
- K-252A
- Molecular formula
- C27H21N3O5
- Molecular weight
- 467.47
Names & synonyms
97161-97-2K-252a; SF 2370C27H21N3O5SCHEMBL1982253CHEMBL1591330SCHEMBL29434956INK-3026-PIBS-1281NCGC00162459-01NS00122926k252K-252A
Show more names
K-252a,98%K252a, 99.5%PubChem ID: 3813K-252A, NOCARDIOPSIS SPPROTEIN KINASE INHIBITORK-252a,from Nocardiopsis sp.PROTEIN KINASE INHIBITOR K-252AK-252a, Nocardiopsis sp.
Database identifiers
- CAS
97161-97-2- PubChem CID
- 3813
- ChEMBL
CHEMBL1591330- EC Number
- 695-544-4
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 94.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 976
Physicochemical properties
- Melting point
- 262 · 262-2630C
- storage temp.
- 20 °C · −20°C
- solubility
- 1 mg/mL · DMF: 1 mg/mL
- form
- White solid
- color
- White to Pale Yellow
- InChIKey
- KOZFSFOOLUUIGY-UHFFFAOYSA-N
- SMILES
- [n]21c3c4[n](c6c(c4c7c(c3c8c2cccc8)CNC7=O)cccc6)C5OC1(C(C5)(O)C(=O)OC)C
- FDA UNII
- 7 H45AM5B · IV7H45AM5B
- UNSPSC Code
- 12352202 · 12352202
- NACRES
- 77 · NA.77
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- Safety Statements
- 22 · 22-24/25
- WGK Germany
- 3 · 3
- RTECS
- 550000 · NZ0550000
- F
- 8 · 8-10
- HS Code
- 29349990 · 29349990
- Storage Class
- 10 · 10 - Combustible liquids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (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 information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- F
- 8-10
- wgk
- 3
- rtecs
- NZ0550000
- hs_code
- 29349990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 22-24/25
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H335-H315-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Applications
UsesProtein kinase inhibitor
Suppliers10 total
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
四川省维克奇生物科技有限公司18108052721 17743264324 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
AdooQ BioScience, LLC+1 (866) 930-6790 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
山东西亚化学有限公司4009903999 13395398332 · [email protected]
德州朗维医药科技有限公司13761310616 · [email protected]
上海同田生物技术有限公司021-51320588 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
杭州珲益生物科技有限公司0571-89918262 13357170655 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…