Products for Research Use Only
RegisterLogin

A 419259 trihydrochloride

CAT: 0607-B1301-50Size: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0607-B1301-50Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
LCK inhibitor, orally available
CAS Number
1435934-25-0
Product Name Alternative
7-((1r,4r)-4-(4-methylpiperazin-1-yl)cyclohexyl)-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine trihydrochloride
Field of Research
Tyrosine Kinase Src
Purity
0.98
Form
A crystalline solid
Solubility
Soluble in DMSO
Smiles
CN1CCN([C@@]2([H])CC[C@@](N3C=C(C(C3=NC=N4)=C4N)C5=CC=C(OC6=CC=CC=C6)C=C5)([H])CC2)CC1.Cl.Cl.Cl
Molecular Formula
C29H37Cl3N6O
Molecular Weight
592
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

A 419259 trihydrochloride
CAS Number1435934-25-0
PubChem CID76848881
IUPAC Name7-[4-(4-methylpiperazin-1-yl)cyclohexyl]-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine;trihydrochloride
Molecular FormulaC29H37Cl3N6O
Molecular Weight592.0
Topological Polar Surface Area72.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count39
Formal Charge0
Complexity679
SMILES
CN1CCN(CC1)C2CCC(CC2)N3C=C(C4=C(N=CN=C43)N)C5=CC=C(C=C5)OC6=CC=CC=C6.Cl.Cl.Cl
InChI
InChI=1S/C29H34N6O.3ClH/c1-33-15-17-34(18-16-33)22-9-11-23(12-10-22)35-19-26(27-28(30)31-20-32-29(27)35)21-7-13-25(14-8-21)36-24-5-3-2-4-6-24;;;/h2-8,13-14,19-20,22-23H,9-12,15-18H2,1H3,(H2,30,31,32);3*1H
InChIKey
ALRMEQIQFCUAMR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of A 419259 trihydrochloride
CAS: 1435934-25-0
CID: 76848881
Formula: C29H37Cl3N6O
MW: 592.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight592.0
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass590.209443
Monoisotopic Mass590.209443
Topological Polar Surface Area72.4 Ų
Heavy Atom Count39
Formal Charge0
Complexity679
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count4
Compound Is CanonicalizedYes

Related Products

CatalogName
C8566-10DMA trihydrochloride
A1952-100NSC23766 trihydrochloride
A1952-25NSC23766 trihydrochloride
A1952-5NSC23766 trihydrochloride
B6523-100Spermidine trihydrochloride
B7180-5Naspm trihydrochloride
A1952-5.1NSC23766 trihydrochloride
C8566-5DMA trihydrochloride
B6523-5.1Spermidine trihydrochloride
A4635-5Laduviglusib trihydrochloride

Alternative Products

CatalogName
440602-01A 419259 Trihydrochloride
574542A-419259 trihydrochloride
HY-15764A-01A 419259 (trihydrochloride)
TRC-A101042-100MGA 419259 Trihydrochloride-D3
HY-15764-01A 419259
GTR19206583A-419259

Popular Products