TLR7-agonist-1

CAT: 0572-TRC-T426520-2.5MGSize: 2.5 mgDry Ice: NoHazardous: No

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CAT#:0572-TRC-T426520-2.5MGSize:2.5 mg

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CAS Number

1642857-69-9

Synonyms

4-[(5-Methyl-3-isoxazolyl)methoxy]-5-(2-pyridinylmethyl)-5H-Pyrrolo[3,2-d]pyrimidin-2-amine

Hazard Statement

No Data Available

Purity

>95% (HPLC)

Smiles

Cc1onc(COc2nc(N)nc3ccn(Cc4ccccn4)c23)c1

Molecular Formula

C17H16N6O2

Molecular Weight

336.35

Shipping Conditions

Room Temperature

Storage Conditions

-20°C

Chemical Information

4-((5-methylisoxazol-3-yl)methoxy)-5-(pyridin-2-ylmethyl)-5H-pyrrolo(3,2-d)pyrimidin-2-amine

a toll-like receptor 7 agonist with antiviral activity; structure in first source

CAS Number	1642857-69-9
PubChem CID	86346192
IUPAC Name	4-[(5-methyl-1,2-oxazol-3-yl)methoxy]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-2-amine
Molecular Formula	C17H16N6O2
Molecular Weight	336.3
XLogP	1.3
Topological Polar Surface Area	105
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Heavy Atom Count	25
Formal Charge	0
Complexity	441

SMILES

CC1=CC(=NO1)COC2=NC(=NC3=C2N(C=C3)CC4=CC=CC=N4)N

InChI

InChI=1S/C17H16N6O2/c1-11-8-13(22-25-11)10-24-16-15-14(20-17(18)21-16)5-7-23(15)9-12-4-2-3-6-19-12/h2-8H,9-10H2,1H3,(H2,18,20,21)

InChIKey

FVKOYFLAKSGBBV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1642857-69-9

CID: 86346192

Formula: C17H16N6O2

MW: 336.3

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	336.3
XLogP3	1.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Exact Mass	336.13347377
Monoisotopic Mass	336.13347377
Topological Polar Surface Area	105 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	441
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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TLR7-agonist-1

Chemical Information

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