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A 601

CAT: 0013-GTR19196001-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19196001-03Size:100 mg
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Description
A 601 is a synthetic lipid A analog, specifically an N-acylated, serine-linked, and nonphosphorylated acylglucosamine derivative. It serves as a research tool for studying innate immune responses, particularly TLR4 signaling, in both in vitro cellular assays and in vivo models of inflammation and sepsis.
CAS Number
50696-27-0
Smiles
C (=NNC (=N) N) C1=CC=C (O) C=N1
Molecular Formula
C7H9N5O
Molecular Weight
179.18
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

A 601

a N-acylated serine-linked nonphosphorylated acylglucosamine-derived lipid A analog; has tetradecanoyl at the C-2 position; structure given in first source

CAS Number50696-27-0
PubChem CID135764946
IUPAC Name2-[(E)-(5-hydroxy-2-pyridinyl)methylideneamino]guanidine
Molecular FormulaC7H9N5O
Molecular Weight179.18
XLogP0.3
Topological Polar Surface Area110
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count13
Formal Charge0
Complexity211
SMILES
C1=CC(=NC=C1O)/C=N/N=C(N)N
InChI
InChI=1S/C7H9N5O/c8-7(9)12-11-3-5-1-2-6(13)4-10-5/h1-4,13H,(H4,8,9,12)/b11-3+
InChIKey
OEMUUZJTCZMSOY-QDEBKDIKSA-N
Chemical Structure
2D Structure
2D structure of A 601
CAS: 50696-27-0
CID: 135764946
Formula: C7H9N5O
MW: 179.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight179.18
XLogP30.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass179.08070993
Monoisotopic Mass179.08070993
Topological Polar Surface Area110 Ų
Heavy Atom Count13
Formal Charge0
Complexity211
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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