Aminoquinol triphosphate

CAT: 0013-GTR19195619-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19195619-01Size:25 mg

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Description

Aminoquinol triphosphate is a research compound with potential therapeutic application against acute necrotizing cutaneous leishmaniasis. Studies in vitro and in vivo investigate its role as a nucleotide analog, targeting parasitic replication mechanisms for potential antiprotozoal drug development.

CAS Number

3653-53-0

Field of Research

Signal Transduction

Smiles

O=P (O) (O) O.ClC1=CC2=NC (C=CC3=C (Cl) C=CC=C3) =CC (NC (CCCN (CC) CC) C) =C2C=C1.O=P (O) (O) O.O=P (O) (O) O

Molecular Formula

C26H40Cl2N3O12P3

Molecular Weight

750.44

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Aminoquinol triphosphate

CAS Number	3653-53-0
PubChem CID	6444420
IUPAC Name	4-N-[7-chloro-2-[(E)-2-(2-chlorophenyl)ethenyl]quinolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;phosphoric acid
Molecular Formula	C26H40Cl2N3O12P3
Molecular Weight	750.4
Topological Polar Surface Area	261
Hydrogen Bond Donor Count	10
Hydrogen Bond Acceptor Count	15
Rotatable Bond Count	10
Heavy Atom Count	46
Formal Charge	0
Complexity	589

SMILES

CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC(=C1)/C=C/C3=CC=CC=C3Cl)Cl.OP(=O)(O)O.OP(=O)(O)O.OP(=O)(O)O

InChI

InChI=1S/C26H31Cl2N3.3H3O4P/c1-4-31(5-2)16-8-9-19(3)29-26-18-22(14-12-20-10-6-7-11-24(20)28)30-25-17-21(27)13-15-23(25)26;3*1-5(2,3)4/h6-7,10-15,17-19H,4-5,8-9,16H2,1-3H3,(H,29,30);3*(H3,1,2,3,4)/b14-12+;;;

InChIKey

NHNXMYYNFQHZMQ-XPGLNUPKSA-N

Chemical Structure

2D Structure

CAS: 3653-53-0

CID: 6444420

Formula: C26H40Cl2N3O12P3

MW: 750.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	750.4
Hydrogen Bond Donor Count	10
Hydrogen Bond Acceptor Count	15
Rotatable Bond Count	10
Exact Mass	749.1201901
Monoisotopic Mass	749.1201901
Topological Polar Surface Area	261 Å²
Heavy Atom Count	46
Formal Charge	0
Complexity	589
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	4
Compound Is Canonicalized	Yes

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