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Porphobilinogen

CAT: 0804-HY-W013495Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W013495Size:1 mg
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Description
Porphobilinogen could act as a phototoxin, a neurotoxin, and a metabotoxin.
CAS Number
487-90-1
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Endogenous Metabolite
Type
Natural Products
Related Pathways
Metabolic Enzyme/Protease
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/3-_5-_Aminomethyl_-4-_carboxymethyl_-1H-pyrrol-3-yl_propanoic_acid.html
Purity
99
Solubility
10 mM in DMSO|NH4OH : ≥ 10mg/mL
Smiles
O=C(O)CCC1=CNC(CN)=C1CC(O)=O
Molecular Formula
C10H14N2O4
Molecular Weight
226.23
Precautions
H302, H315, H319, H335
References & Citations
[1]Winkelman JW, et al. Neurotoxicity of tetraphenylporphinesulfonate TPPS4 and its relation to photodynamic therapy. Photochem Photobiol. 1987 Nov;46 (5) :801-7.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Natural Products
Clinical Information
Phase 3
Isoform
Human Endogenous Metabolite

Chemical Information

Porphobilinogen

Porphobilinogen is a dicarboxylic acid that is pyrole bearing aminomethyl, carboxymethyl and 2-carboxyethyl substituents at positions 2, 3 and 4 respectively. It has a role as a metabolite, a mouse metabolite and an Escherichia coli metabolite. It is a member of pyrroles, a dicarboxylic acid and an aralkylamino compound. It is a conjugate acid of a porphobilinogen(1-).

CAS Number487-90-1
PubChem CID1021
IUPAC Name3-[5-(aminomethyl)-4-(carboxymethyl)-1H-pyrrol-3-yl]propanoic acid
Molecular FormulaC10H14N2O4
Molecular Weight226.23
XLogP-3.5
Topological Polar Surface Area116
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count16
Formal Charge0
Complexity270
SMILES
C1=C(C(=C(N1)CN)CC(=O)O)CCC(=O)O
InChI
InChI=1S/C10H14N2O4/c11-4-8-7(3-10(15)16)6(5-12-8)1-2-9(13)14/h5,12H,1-4,11H2,(H,13,14)(H,15,16)
InChIKey
QSHWIQZFGQKFMA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Porphobilinogen
CAS: 487-90-1
CID: 1021
Formula: C10H14N2O4
MW: 226.23
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight226.23
XLogP3-3.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass226.09535693
Monoisotopic Mass226.09535693
Topological Polar Surface Area116 Ų
Heavy Atom Count16
Formal Charge0
Complexity270
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes