Taletrectinib

CAT: 0127-BUP03569-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP03569-01Size:5 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 Number	1505515-69-4
PubChem CID	72694302
IUPAC Name	3-[4-[(2R)-2-aminopropoxy]phenyl]-N-[(1R)-1-(3-fluorophenyl)ethyl]imidazo[1,2-b]pyridazin-6-amine;hexanedioic acid
Molecular Formula	C29H34FN5O5
Molecular Weight	551.6
Topological Polar Surface Area	152
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	12
Heavy Atom Count	40
Formal Charge	0
Complexity	645

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

CAS: 1505515-69-4

CID: 72694302

Formula: C29H34FN5O5

MW: 551.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	551.6
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	12
Exact Mass	551.25439736
Monoisotopic Mass	551.25439736
Topological Polar Surface Area	152 Å²
Heavy Atom Count	40
Formal Charge	0
Complexity	645
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
BA9008-10	Taletrectinib
A22237-5	Taletrectinib 5mg
CS-O-46922	Taletrectinib D4
A22237-100	Taletrectinib 100mg
A22237-1	Taletrectinib 1mg
TRC-T757780-100MG	Taletrectinib Adipate
A22237-50	Taletrectinib 50mg
A22237-25	Taletrectinib 25mg
A22237-10	Taletrectinib 10mg
A22237-2	Taletrectinib 2mg

Taletrectinib

Chemical Information

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