Products for Research Use Only
RegisterLogin

AEE 788

CAT: 0926-FA17229-02Size: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0926-FA17229-02Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
497839-62-0
Synonyms
6-[4-[ (4-Ethyl-1-piperazinyl) methyl]phenyl]-N-[ (1R) -1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine; [6-[4-[ (4-Ethylpiperazin-1-yl) methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]- ((R) -1-phenylethyl) amine; NVP AEE 788
MDL Number
MFCD11100351
Smiles
CCN1CCN (CC1) CC2=CC=C (C=C2) C3=CC4=C (N3) N=CN=C4N[C@H] (C) C5=CC=CC=C5
Molecular Formula
C27H32N6
Molecular Weight
440.58 g/mol
Controlled
No

Chemical Information

6-(4-((4-Ethyl-1-piperazinyl)methyl)phenyl)-N-((1R)-1-phenylethyl)-7H-pyrrolo(2,3-d)pyrimidin-4-amine

AEE788 is a 6-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine which adopts an R-configuration. It is a potent inhibitor of human EGFR, VEGFR and HER2 receptor tyrosine kinases and exhibits anticancer and antiangiogenic activity. It has a role as an antineoplastic agent, a trypanocidal drug, an angiogenesis inhibitor, an EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor, an apoptosis inducer and an epidermal growth factor receptor antagonist.

CAS Number497839-62-0
PubChem CID10297043
IUPAC Name6-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-N-[(1R)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Molecular FormulaC27H32N6
Molecular Weight440.6
XLogP4.6
Topological Polar Surface Area60.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count33
Formal Charge0
Complexity579
SMILES
CCN1CCN(CC1)CC2=CC=C(C=C2)C3=CC4=C(N3)N=CN=C4N[C@H](C)C5=CC=CC=C5
InChI
InChI=1S/C27H32N6/c1-3-32-13-15-33(16-14-32)18-21-9-11-23(12-10-21)25-17-24-26(28-19-29-27(24)31-25)30-20(2)22-7-5-4-6-8-22/h4-12,17,19-20H,3,13-16,18H2,1-2H3,(H2,28,29,30,31)/t20-/m1/s1
InChIKey
OONFNUWBHFSNBT-HXUWFJFHSA-N
Chemical Structure
2D Structure
2D structure of 6-(4-((4-Ethyl-1-piperazinyl)methyl)phenyl)-N-((1R)-1-phenylethyl)-7H-pyrrolo(2,3-d)pyrimidin-4-amine
CAS: 497839-62-0
CID: 10297043
Formula: C27H32N6
MW: 440.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight440.6
XLogP34.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass440.26884505
Monoisotopic Mass440.26884505
Topological Polar Surface Area60.1 Ų
Heavy Atom Count33
Formal Charge0
Complexity579
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
FB108685-01BQ-788
PED-3788-PI-01BQ-788 Sodium Salt
FF35496-01Fmoc-AEEA
FT181995TBuO-Ste-Glu (AEEA-AEEA-OH) -OtBu
WBE51367-01Biotin-AEEA-OPhOMe
FC165871-01Fmoc-L-Lys[Oct- (otBu) -Glu- (otBu) -AEEA-AEEA]-OH
EAC05460-018-Azido-3,6-dioxaoctanoyl-aeea
PLP-3793-PI-01Lys18[ (AEEA) 2-5-FITC]-Hepcidin (Human)
PCI-3861-PI-01Cyclo[Arg-Gly-Asp-D-Tyr-Lys (Cys-AEEA-DOTA) ]

Alternative Products

CatalogName
303-150Riboclear (RNA Cleanup)
TBS10485-100Tribio InVivoMAb Anti-Mouse TIGIT & PD-L1 Bispecific Antibody
TBS10191-1mgTetrahydrocannabinol (THC) Monoclonal Antibody
TBI3024-25MGAc-Leu-Leu-Nle-CHO (ALLN), Calpain inhibitor
122-101ExgeneTM Forensic SV mini
TBS10483-100Tribio InVivoMAb Anti-Mouse PD-L1 & CD28 Bispecific Antibody
TBS10183-1mgMonoclonal Anti-Thyroid Stimulating Hormone (TSH) Antibody
TBS10340-0.5MGInVivo Mouse IgG1 Isotype Control Antibody
121-220Exfection Plasmid EF (Exdotoxin Free, Midi)
TBS10482-100Tribio InVivoMAb Anti-Mouse PD-L1 & OX40 Bispecific Antibody

Popular Products