HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program:[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.8
  1. Home
  2. /Compound

4-Amino-1-phenylpyrazolo(3,4-d)pyrimidine

HCID 4879
NotesReactions
Basic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
5334-30-5
Standard SMILES
Nc1ncnc2c1cnn2-c1ccccc1
InChIKey
KKDPIZPUTYIBFX-UHFFFAOYSA-N
Molecular formula
C11H9N5
Average molar mass
211.22 g/mol
Monoisotopic mass
211.08579531

Overview

1-phenyl-4-pyrazolo[3,4-d]pyrimidinamine is a member of pyrazoles and a ring assembly.

Names & identifiers

Preferred name
4-Amino-1-phenylpyrazolo(3,4-d)pyrimidine
IUPAC
1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
English name
PP3
Molecular formula
C11H9N5
Molecular weight
211.22

Names & synonyms

4-Amino-1-phenylpyrazolo[3,4-d]pyrimidine4-Amino-1-phenylpyrazolo(3,4-d)pyrimidineRefChem:517496808-056-55334-30-51-phenyl-1h-pyrazolo[3,4-d]pyrimidin-4-aminePP 31-phenylpyrazolo[3,4-d]pyrimidin-4-aminepp3MFCD00022901SBB0284251-Phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-ylamine
Show more names
InetetamabAmino dNSC 1401PP-3PP 3, 10 mM in DMSOPP3 ISO 9001:2015 REACHPP3, Negative control for PP2PP3 - CAS 5334-30-5 - Calbiochem4-AMINO-7-PHENYLPYRAZOL[3,4-D]PYRIMIDINE
cid_4879Oprea1_457349CHEMBL65063MLS000054252GTPL6029SCHEMBL2278510CHEBI:92303HMS3229K03

Database identifiers

CAS
5334-30-5
PubChem CID
4879
DTXSID

Properties

Computed structural properties

XLogP
1.5
Topological polar surface area
69.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
16
Formal charge
0
Complexity
241

Physicochemical properties

Melting point
214 · 214-217 °C
Boiling point
363.952 · 363.952±35.00 °C(Press: 760.00 Torr)(predicted)
Density
1.448 · 1.448±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
storage temp.
-20 °C · -20°C
solubility
DMF, DMSO, Hot methanol
pka
3.89 · 3.89
form
Off-white solid
color
Whit to Off-White
λmax
240 nm · 240nm(H2O (pH 1))(lit.)
BRN
198460 · 198460
CAS DataBase Reference
5334 · 5334-30-5(CAS DataBase Reference)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
315 · H315-H319
Precautionary statements
264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313

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 · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code
29335995
risk_code
36/37/38-22
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xn,Xi
hazard_note
Irritant
safety_code
36/37/39-26
Hazard statements
H315-H319
Precautionary statements
P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313

Chemistry & industry

Applications · 2 items

UsesIntermediate in the preparation of various enzymatic inhibitors

UsesThe Src family of non-receptor tyrosine kinases regulate cell adhesion, growth, and differentiation through activation of multiple intracellular signaling pathways. Normally inactive, Src kinases are transiently activated during mitosis and constitutively activated by abnormal mutations. Several small molecule inhibitors of this signaling pathway have been developed as a therapeuptic strategy to abate abnormal Src kinase activity. PP3 is an inactive analog of the Src tyrosine kinase inhibitors PP1 and PP2 . At concentrations as high as 10 μM, it does not prevent proliferation mediated by a stem cell factor/mast cell growth factor in hematopoietic and cancer cell lines.[Cayman Chemical]

Suppliers54 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海优宁维生物科技股份有限公司15921930842 15921930842 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
阿法埃莎(中国)化学有限公司

Related reactions

0 records
New reaction record

No reaction records under the current filter.

Compound notes

Loading…

On this pageBasic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
DTXSID20274448
ChEMBL
CHEMBL65063
ChEBI
CHEBI:92303
EC Number
808-056-5
Nikkaji
J331.960A
Hazard Codes
Xn,Xi
Risk Statements
36 · 36/37/38-22
Safety Statements
36 · 36/37/39-26
Hazard Note
Irritant
HS Code
29335995 · 29335995
400-6106006 · [email protected]
安耐吉化学&3A(安徽泽升科技股份有限公司)400-0056266 · [email protected]
广东方信生物科技有限公司0751-2838688 13376594225 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
VDM Biochemicals0330-2528181 · [email protected]
南京爱珂医药科技有限公司025-58395930 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
TargetMol 中国(陶术生物)400-821-0310 15002144251 · [email protected]
赛默飞世尔科技(中国)有限公司800-810-5118 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
上海湄水化工科技有限公司021-60549325 18616193163
凯试(上海)科技有限公司021-50135380 · [email protected]
上海东苍生物科技有限公司+86-21-58447131 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
韶远科技(上海)有限公司4000665055 · [email protected]
广东翁江化学试剂有限公司0751-2886766 13927870850 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
EMMX Biotechnology LLC888-539-0666 · [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]
广东翁江化学试剂有限公司0751-2886750 13927877953 · [email protected]
山东小野化学股份有限公司0539-6362799 20)
Capot Chemical Co.,Ltd.+86-(0)57185586718 +86-13336195806 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
上海腾骞生物科技有限公司021-50895067 18616507272;13681616114;15020344067 · [email protected]
范德(北京)生物科技有限责任公司15911056312 · [email protected]
TCI Chemicals (India) Pvt. Ltd.[email protected]
Aladdin Scientific[email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
郑州艾克姆化工有限公司13303867194 · [email protected]
TargetMol中国(陶术生物)4008200310 15002144251 · [email protected]
上海迈瑞尔生化科技有限公司18621169109 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318584237 · [email protected]
中山市聚科美生物科技有限公司13642727863 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
重庆卡兰医药有限公司[email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]

Additional notes

DefinitionChEBI: 1-phenyl-4-pyrazolo[3,4-d]pyrimidinamine is a ring assembly and a member of pyrazoles.