Basic information
- CAS
221243-82-9- Standard SMILES
CC(C)(C)n1nc(-c2cccc3ccccc23)c2c(N)ncnc21- InChIKey
XSHQBIXMLULFEV-UHFFFAOYSA-N- Molecular formula
- C19H19N5
- Average molar mass
- 317.4 g/mol
- Monoisotopic mass
- 317.16404563
Overview
1-NA-PP1 is a pyrazolopyrimidine. It has a role as a tyrosine kinase inhibitor.
Names & identifiers
- Preferred name
- 1-Tert-butyl-3-naphthalen-1-ylpyrazolo(3,4-d)pyrimidin-4-amine
- IUPAC
- 1-tert-butyl-3-naphthalen-1-ylpyrazolo[3,4-d]pyrimidin-4-amine
- English name
- 4-Amino-1-tert-butyl-3-(1'-naphthyl)pyrazolo[3,4-d]pyrimidine
- Molecular formula
- C19H19N5
- Molecular weight
- 317.39
Names & synonyms
1-tert-butyl-3-naphthalen-1-ylpyrazolo[3,4-d]pyrimidin-4-amine1-Tert-butyl-3-naphthalen-1-ylpyrazolo(3,4-d)pyrimidin-4-amine1-NA-PP1 compoundRefChem:907852221243-82-91-NAPHTHYL PP11-NA-PP11-(tert-Butyl)-3-(naphthalen-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine4-Amino-1-tert-butyl-3-(1'-naphthyl)pyrazolo[3,4-d]pyrimidine1-tert-butyl-3-(naphthalen-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine1-(1,1-dimethylethyl)-3-(1-naphthalenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amineMFCD03425471
Show more names
CS-20011-NAPHTHYL PP1(1-NA-PP 1)1-Naphthyl PP1, 10 mM in DMSO1-Naphthyl PP1, PKD inhibitor1H-Pyrazolo[3,4-d]pyrimidin-4-amine,1-(1,1-dimethylethyl)-3-(1-naphthalenyl)-
CHEMBL2644061-tert-butyl-3-naphthalen-1-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine1-naphthyl-PP14gkh0J9K000471-(1,1-dimethylethyl)-3SCHEMBL173288
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 448
Physicochemical properties
- Melting point
- 219 · 219-222°C
- storage temp.
- 2 · Keep in dark place,Inert atmosphere,2-8°C
- solubility
- Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
- form
- Solid
- color
- White to Off-White
- InChI
- InChI=1S/C19H19N5/c1-19(2,3)24-18-15(17(20)21-11-22-18)16(23-24)14-10-6-8-12-7-4-5-9-13(12)14/h4-11H,1-3H3,(H2,20,21,22)
- InChIKey
- XSHQBIXMLULFEV-UHFFFAOYSA-N
- SMILES
- C1=NC(N)=C2C(C3=C4C(C=CC=C4)=CC=C3)=NN(C(C)(C)C)C2=N1
- UNSPSC Code
- 12352202 · 12352202
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- WGK Germany
- 1 · WGK 1
- 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.
Safety data
- wgk
- WGK 1
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesA highly potent (IC50=1.5nM) and uniquely specific tyrosine kinase inhibitor of a rationally engineered v-Src tyrosine kinase
Suppliers76 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
上海波以尔化工有限公司[email protected]
InvivoChem中国13549236410 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
VDM Biochemicals0330-2528181 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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