Basic information
- CAS
172889-26-8- Standard SMILES
Cc1ccc(-c2nn(C(C)(C)C)c3ncnc(N)c23)cc1- InChIKey
ZVPDNRVYHLRXLX-UHFFFAOYSA-N- Molecular formula
- C16H19N5
- Average molar mass
- 281.36 g/mol
- Monoisotopic mass
- 281.16404563
Names & identifiers
- Preferred name
- 1-Ter-Butyl-3-P-Tolyl-1h-Pyrazolo[3,4-D]Pyrimidin-4-Ylamine
- IUPAC
- 1-tert-butyl-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
- English name
- PP1
- Molecular formula
- C16H19N5
- Molecular weight
- 281.36
Names & synonyms
1-ter-butyl-3-p-tolyl-1h-pyrazolo[3,4-d]pyrimidin-4-ylamine1-Ter-Butyl-3-P-Tolyl-1h-Pyrazolo(3,4-D)Pyrimidin-4-YlamineRefChem:436568172889-26-8PP11-(tert-Butyl)-3-(p-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-4-aminePP 1PP-11-tert-butyl-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-aminePYRAZOLOPYRIMIDINE 1MFCD010765701-tert-butyl-3-(4-methylphenyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
Show more names
PPENCS-716EI 275AGL 1872PP1 BasePP1 USP/EP/BPPP1, Free BasePP1 (AGL 1872)AGL 1872,EI 275
1H-Pyrazolo[3,4-d]pyrimidin-4-amine,1-(1,1-dimethylethyl)-3-(4-methylphenyl)-SA2ND7EHY4PP-1 (enzyme inhibitor)4-AMINO-1-TERT-BUTYL-3-(4-METHYLPHENYL)PYRAZOLO[3,4-D]PYRIMIDINEMLS000326642CHEMBL306380KBio2_002942HMS2191A04
Database identifiers
- CAS
172889-26-8- PubChem CID
- 1400
- DTXSID
DTXSID60274306- ChEMBL
CHEMBL304533、CHEMBL306380- UNII
- SA2ND7EHY4
- Nikkaji
- J704.781I
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 358
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
LogP4.1
Physicochemical properties
- Melting point
- 205 · 205-207°C
- storage temp.
- room temp
- solubility
- 20 mg/mL · DMSO: >20mg/mL
- form
- powder
- color
- white to off-white
- Stability
- 2 years · Stable for 2 years from date of purchase as supplied. Solutions in DMSO or ethanol may be stored at -20°C for up to 2 months.
- InChI
- 1S/C16H19N5/c1-10-5-7-11(8-6-10)13-12-14(17)18-9-19-15(12)21(20-13)16(2,3)4/h5-9H,1-4H3,(H2,17,18,19)
- InChIKey
- ZVPDNRVYHLRXLX-UHFFFAOYSA-N
- SMILES
- Cc1ccc(cc1)-c2nn(c3ncnc(N)c23)C(C)(C)C
- FDA UNII
- 2 ND7EHY4 · SA2ND7EHY4
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 77 · NA.77
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
- RIDADR
- 2811 · UN 2811 6.1 / PGIII
- WGK Germany
- 3 · 3
- HS Code
- 2933599590 · 2933599590
- Storage Class
- 11 · 11 - Combustible Solids
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
- 3
- ridadr
- UN 2811 6.1 / PGIII
- hs_code
- 2933599590
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
DescriptionPP1 (172889-26-8) is a potent and selective inhibitor of Src family tyrosine kinases. IC50=5 nM (p65lck), IC50=6 nM(P59fynT), IC50=170 nM (p60src). Cell permeable.
UsesA highly potent and uniquely specific tyrosine kinase inhibitor of a rationally engineered v-Src tyrosine kinase
UsesPP1 has been used as: an inhibitor of sarcoma (Src) family kinases (SFK) like hematopoietic cell kinase (hck) and fyn a selective Src tyrosine kinase inhibitor in hippocampal neuronal cultures to test its effect on neurite growth a Src-kinase blocker to test its effect on brimonidine (BMD)-induced phosphorylation in extracellular signal-activated kinases(ERK1/2)
Suppliers88 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [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]
大连美仑生物技术有限公司0411-62910999 13889544652 · [email protected]
United Life Science020-82099279 18988968278 · [email protected]
InvivoChem中国13549236410 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
怀化市冰峰化工有限公司0745-2866851 17711757908 · [email protected]
MedChemexpress LLC021-58955995 · [email protected]
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
宁波奕睿生物科技有限公司15221000252 · [email protected]
ChemeGen 中国18818260767 · [email protected]
深圳菲斯生物科技有限公司0755-83725681-603
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
上海复青化学科技有限公司13816107857 · [email protected]
Shanghai Witofly Chemical Co.,Ltd[email protected]
郑州安步防护用具有限公司+86-0371-88006763; +86-15988602810 · [email protected]
上海喀露蓝科技有限公司18149758185 18149758185 · [email protected]
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Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
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TargetMol中国（陶术生物）021-021-33632979 15002134094 · [email protected]
武汉天植生物技术有限公司18607101326 15172504745 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海圣酮生物医药有限公司15065661979 15065661979 · [email protected]
上海百生跃生物科技有限公司4000880777 17585207275 · [email protected]
广州市齐云生物技术有限公司020-61288194 61288195 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
Target molecule Corp.857-239-0968 · [email protected]
Cckinase, Inc.+1 (732)236-3202 · [email protected]
上海芮珊医药科技有限公司02150565560; 17321237488 · [email protected]
常州美泰生物科技有限公司0519-83246372 13585352506
滁州市科迈尔化工科技有限公司0550-5196001 15000891977 · [email protected]
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北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
Related reactions
3 records
Compound notes
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