YLIU-4-105-1

CAT: 0931-T201176-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-T201176-01Size:25 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

2417685-83-5

Target

JAK

Related Pathways

Tyrosine Kinase/Adaptors, Chromatin/Epigenetic, JAK/STAT signaling, Stem Cells, Angiogenesis

Bioactivity

YLIU-4-105-1 is a type II JAK2 inhibitor. Demonstrating in vivo pharmacological activity, YLIU-4-105-1 reduces splenic weight, decreases blood reticulocyte counts in a dose-dependent manner, and inhibits pSTAT5.

Smiles

O=C(NC=1C=C(C=C(C1)C(F)(F)F)CN2CCN(CC)CC2)C=3C=CC(=C(C3)C4=NN5C=C(N=C5C=C4)NC(=O)C6CC6)C

Molecular Formula

C32H34F3N7O2

Molecular Weight

605.65

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

3-(2-(Cyclopropanecarboxamido)imidazo[1,2-b]pyridazin-6-yl)-N-(3-((4-ethylpiperazin-1-yl)methyl)-5-(trifluoromethyl)phenyl)-4-methylbenzamide

CAS Number	2417685-83-5
PubChem CID	153583901
IUPAC Name	3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-methylbenzamide
Molecular Formula	C32H34F3N7O2
Molecular Weight	605.7
XLogP	4.1
Topological Polar Surface Area	94.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	8
Heavy Atom Count	44
Formal Charge	0
Complexity	1000

SMILES

CCN1CCN(CC1)CC2=CC(=CC(=C2)NC(=O)C3=CC(=C(C=C3)C)C4=NN5C=C(N=C5C=C4)NC(=O)C6CC6)C(F)(F)F

InChI

InChI=1S/C32H34F3N7O2/c1-3-40-10-12-41(13-11-40)18-21-14-24(32(33,34)35)17-25(15-21)36-31(44)23-5-4-20(2)26(16-23)27-8-9-29-37-28(19-42(29)39-27)38-30(43)22-6-7-22/h4-5,8-9,14-17,19,22H,3,6-7,10-13,18H2,1-2H3,(H,36,44)(H,38,43)

InChIKey

QXTJBILZOATCLN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2417685-83-5

CID: 153583901

Formula: C32H34F3N7O2

MW: 605.7

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	605.7
XLogP3	4.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	8
Exact Mass	605.27260784
Monoisotopic Mass	605.27260784
Topological Polar Surface Area	94.9 Å²
Heavy Atom Count	44
Formal Charge	0
Complexity	1000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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YLIU-4-105-1

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