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Taletrectinib

CAT: 0127-BUP03569-06Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP03569-06Size:500 mg
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CAS Number
1505515-69-4
Synonyms
DS-6051b, AB-106
Purity
=98%
Smiles
OC(=O)CCCCC(O)=O.C[C@@H](N)COc1ccc(cc1)-c1cnc2ccc(N[C@H](C)c3cccc(F)c3)nn12

Chemical Information

3-(4-((2R)-2-aminopropoxy)phenyl)-N-((1R)-1-(3-fluorophenyl)ethyl)imidazo(1,2-b)pyridazin-6-amine;hexanedioic acid

Taletrectinib Adipate is the adiptate form of taletrectinib, a n orally available inhibitor of the receptor tyrosine kinases C-ros oncogene 1 (ROS1) and the neurotrophic tyrosine receptor kinase (NTRK) types 1, 2 and 3, with potential antineoplastic activity. Upon oral administration, taletrectinib binds to and inhibits ROS1 and the NTRK family members. This inhibition leads to a disruption of ROS1- and NTRK-mediated signaling and eventually inhibits the growth of tumor cells that are overexpressing ROS1 and/or NTRKs. ROS1, overexpressed in certain cancer cells, plays a key role in cell growth and survival of cancer cells. NTRK mutations or rearrangements play a key role in cancer progression.

CAS Number1505515-69-4
PubChem CID72694302
IUPAC Name3-[4-[(2R)-2-aminopropoxy]phenyl]-N-[(1R)-1-(3-fluorophenyl)ethyl]imidazo[1,2-b]pyridazin-6-amine;hexanedioic acid
Molecular FormulaC29H34FN5O5
Molecular Weight551.6
Topological Polar Surface Area152
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count12
Heavy Atom Count40
Formal Charge0
Complexity645
SMILES
C[C@H](COC1=CC=C(C=C1)C2=CN=C3N2N=C(C=C3)N[C@H](C)C4=CC(=CC=C4)F)N.C(CCC(=O)O)CC(=O)O
InChI
InChI=1S/C23H24FN5O.C6H10O4/c1-15(25)14-30-20-8-6-17(7-9-20)21-13-26-23-11-10-22(28-29(21)23)27-16(2)18-4-3-5-19(24)12-18;7-5(8)3-1-2-4-6(9)10/h3-13,15-16H,14,25H2,1-2H3,(H,27,28);1-4H2,(H,7,8)(H,9,10)/t15-,16-;/m1./s1
InChIKey
DORJQZDOULKINH-QNBGGDODSA-N
Chemical Structure
2D Structure
2D structure of 3-(4-((2R)-2-aminopropoxy)phenyl)-N-((1R)-1-(3-fluorophenyl)ethyl)imidazo(1,2-b)pyridazin-6-amine;hexanedioic acid
CAS: 1505515-69-4
CID: 72694302
Formula: C29H34FN5O5
MW: 551.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight551.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count12
Exact Mass551.25439736
Monoisotopic Mass551.25439736
Topological Polar Surface Area152 Ų
Heavy Atom Count40
Formal Charge0
Complexity645
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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