TAK-024

CAT: 0931-T13065-03Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0931-T13065-03Size:100 mg

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

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CAS Number

186971-69-7

Target

Others, P2Y Receptor

Related Pathways

GPCR/G Protein, Others, Neuroscience

Bioactivity

TAK-024 is an inhibitor of platelet (IC50s of 31, 79 and 51 nM in human, monkey and guinea pig, respectively) .

Smiles

C(CNC(=O)C1=CC=C(NC(=N)N)C=C1)(=O)N2[C@@H](CCCNC(=O)C3=CC=C(NC(=N)N)C=C3)C(=O)N(CC(O)=O)CC2

Molecular Formula

C27H34N10O6

Molecular Weight

594.62

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

CID 9830049

CAS Number	186971-69-7
PubChem CID	9830049
IUPAC Name	2-[(3S)-4-[2-[[4-(diaminomethylideneamino)benzoyl]amino]acetyl]-3-[3-[[4-(diaminomethylideneamino)benzoyl]amino]propyl]-2-oxopiperazin-1-yl]acetic acid
Molecular Formula	C27H34N10O6
Molecular Weight	594.6
XLogP	-1.7
Topological Polar Surface Area	265
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	12
Heavy Atom Count	43
Formal Charge	0
Complexity	1070

SMILES

C1CN([C@H](C(=O)N1CC(=O)O)CCCNC(=O)C2=CC=C(C=C2)N=C(N)N)C(=O)CNC(=O)C3=CC=C(C=C3)N=C(N)N

InChI

InChI=1S/C27H34N10O6/c28-26(29)34-18-7-3-16(4-8-18)23(41)32-11-1-2-20-25(43)36(15-22(39)40)12-13-37(20)21(38)14-33-24(42)17-5-9-19(10-6-17)35-27(30)31/h3-10,20H,1-2,11-15H2,(H,32,41)(H,33,42)(H,39,40)(H4,28,29,34)(H4,30,31,35)/t20-/m0/s1

InChIKey

YKSPQSYSZRGOSU-FQEVSTJZSA-N

Chemical Structure

2D Structure

CAS: 186971-69-7

CID: 9830049

Formula: C27H34N10O6

MW: 594.6

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	594.6
XLogP3	-1.7
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	12
Exact Mass	594.26627884
Monoisotopic Mass	594.26627884
Topological Polar Surface Area	265 Å²
Heavy Atom Count	43
Formal Charge	0
Complexity	1070
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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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T18688-01	SNIPER (ABL) -024
T70880-01	TAK-137
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T202606-01	TAK-802
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Alternative Products

Catalog	Name
MBS5767690	TAK-024
A20469-25	TAK-024 25mg
A20469-50	TAK-024 50mg
A20469-10	TAK-024 10mg
A20469-5	TAK-024 5mg
A20469-1	TAK-024 1mg
A20469-100	TAK-024 100mg
BA8597-1	FRM-024
B5192-1	HS 024
VEC54473-01	AX-024

TAK-024

Chemical Information

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