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MIP-1072

CAT: 0013-GTR19199944-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19199944-01Size:25 mg
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Description
MIP-1072 is a small molecule inhibitor targeting prostate-specific membrane antigen (PSMA) . It is a valuable research tool for investigating PSMA function in prostate cancer models, supporting both in vitro biochemical assays and in vivo xenograft studies.
CAS Number
949575-20-6
Field of Research
Immunology & Inflammation
Smiles
C (NCCCC[C@H] (NC (N[C@@H] (CCC (O) =O) C (O) =O) =O) C (O) =O) C1=CC=C (I) C=C1
Molecular Formula
C19H26IN3O7
Molecular Weight
535.33
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Iofolastat
CAS Number949575-20-6
PubChem CID24951655
IUPAC Name(2S)-2-[[(1S)-1-carboxy-5-[(4-iodophenyl)methylamino]pentyl]carbamoylamino]pentanedioic acid
Molecular FormulaC19H26IN3O7
Molecular Weight535.3
XLogP-1
Topological Polar Surface Area165
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count14
Heavy Atom Count30
Formal Charge0
Complexity582
SMILES
C1=CC(=CC=C1CNCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)I
InChI
InChI=1S/C19H26IN3O7/c20-13-6-4-12(5-7-13)11-21-10-2-1-3-14(17(26)27)22-19(30)23-15(18(28)29)8-9-16(24)25/h4-7,14-15,21H,1-3,8-11H2,(H,24,25)(H,26,27)(H,28,29)(H2,22,23,30)/t14-,15-/m0/s1
InChIKey
OXUUJYOSVPMNKP-GJZGRUSLSA-N
Chemical Structure
2D Structure
2D structure of Iofolastat
CAS: 949575-20-6
CID: 24951655
Formula: C19H26IN3O7
MW: 535.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight535.3
XLogP3-1
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count14
Exact Mass535.08155
Monoisotopic Mass535.08155
Topological Polar Surface Area165 Ų
Heavy Atom Count30
Formal Charge0
Complexity582
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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