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MIP-1095 I-131

CAT: 0931-T25814-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T25814-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1258980-67-4
Target
Others
Related Pathways
Others
Bioactivity
MIP-1095 I-131 is a small molecule PSMA inhibitor.
Smiles
N(C(NCCCC[C@H](NC(N[C@@H](CCC(O)=O)C(O)=O)=O)C(O)=O)=O)C1=CC=C([131I])C=C1
Molecular Formula
C19H25IN4O8
Molecular Weight
568.33
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Mip-1095 i-131

MIP-1095 I-131 is under investigation in clinical trial NCT03030885 (Use of an Experimental Radiopharmaceutical (131I-MIP-1095) in Men With Metastatic Castration-Resistant Prostate Cancer (mCRPC)).

CAS Number1258980-67-4
PubChem CID124220556
IUPAC Name(2S)-2-[[(1S)-1-carboxy-5-[(4-iodophenyl)carbamoylamino]pentyl]carbamoylamino]pentanedioic acid
Molecular FormulaC19H25IN4O8
Molecular Weight568.3
XLogP0.9
Topological Polar Surface Area194
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count8
Rotatable Bond Count13
Heavy Atom Count32
Formal Charge0
Complexity670
SMILES
C1=CC(=CC=C1NC(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)[131I]
InChI
InChI=1S/C19H25IN4O8/c20-11-4-6-12(7-5-11)22-18(31)21-10-2-1-3-13(16(27)28)23-19(32)24-14(17(29)30)8-9-15(25)26/h4-7,13-14H,1-3,8-10H2,(H,25,26)(H,27,28)(H,29,30)(H2,21,22,31)(H2,23,24,32)/t13-,14-/m0/s1/i20+4
InChIKey
LFEGKCKGGNXWDV-LUOJOMRDSA-N
Chemical Structure
2D Structure
2D structure of Mip-1095 i-131
CAS: 1258980-67-4
CID: 124220556
Formula: C19H25IN4O8
MW: 568.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight568.3
XLogP30.9
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count8
Rotatable Bond Count13
Exact Mass568.073365
Monoisotopic Mass568.073365
Topological Polar Surface Area194 Ų
Heavy Atom Count32
Formal Charge0
Complexity670
Isotope Atom Count1
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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