Basic Description

Synonyms	1702967-37-0 \| Vipivotide tetraxetan \| s8670 \| PSMA617 \| PSMA-617 \| Sodium phosphate monobasic monohydrate, BioXtra, for molecular biology, >=99.5% (T) \| NACLO3 \| -LYSINE, N2-((((1S)-1,3-DICARBOXYPROPYL)AMINO)CARBONYL)-N6-(3-(2-NAPHTHALENYL)-N-((TRANS-4-(
Specifications & Purity	Moligand™, ≥98%
Biochemical and Physiological Mechanisms	Vipivotide tetraxetan (PSMA-617) is a chemically modified PSMA(prostate-specific membrane antigen) inhibitor with a Ki of 0.37 nM.
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Grade	Moligand™
Action Type	INHIBITOR
Mechanism of action	Inhibitor of Folate hydrolase (prostate-specific membrane antigen) 1
Product Description	Information Vipivotide tetraxetan (PSMA-617) is a chemically modified PSMA(prostate-specific membrane antigen) inhibitor with a Ki of 0.37 nM. Targets PSMA (Cell-free assay) 0.37 nM(Ki) In vitro PSMA-617 demonstrates high radiolytic stability for at least 72 h. A high inhibition potency (equilibrium dissociation constant Ki = 2.34 ± 2.94 nM on LNCaP; Ki = 0.37 ± 0.21 nM enzymatically determined) and highly efficient internalization into LNCaP cells are demonstrated. In vivo The small-animal PET measurements show high tumor-to-background contrasts as early as 1 h after injection. In vivo distribution reveals specific uptake in LNCaP tumors and in the kidneys 1 h after injection. With regard to therapeutic use, PSMA-617 exhibits a rapid clearance from the kidneys from 113.3 ± 24.4 at 1 h to 2.13 ± 1.36 percentage injected dose per gram at 24 h. The favorable pharmacokinetics of the molecule leads to tumor-to-background ratios of 1,058 (tumor to blood) and 529 (tumor to muscle), respectively,24 h after injection. Cell Research(from reference) Cell lines：PSMA-positive LNCaP cell line Concentrations：0–5000 nM Incubation Time：1 h

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Hexacarboxylic acids and derivatives

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Hexacarboxylic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Hexacarboxylic acids and derivatives
Alternative Parents	Glutamic acid and derivatives N-carbamoyl-alpha amino acids N-acyl-alpha amino acids and derivatives Alpha amino acid amides Naphthalenes Alpha amino acids N-acyl amines Trialkylamines Organic carbonic acids and derivatives Amino acids Carboxylic acids Carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Hexacarboxylic acid or derivatives - Glutamic acid or derivatives - N-carbamoyl-alpha-amino acid or derivatives - N-carbamoyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Naphthalene - Alpha-amino acid or derivatives - N-substituted-alpha-amino acid - Alpha-amino acid - Fatty acyl - Benzenoid - N-acyl-amine - Fatty amide - Amino acid - Tertiary aliphatic amine - Tertiary amine - Carbonic acid derivative - Carboxamide group - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Carboxylic acid - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as hexacarboxylic acids and derivatives. These are carboxylic acids containing exactly six carboxyl groups.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Product Properties

ALogP	-11.549
HBD Count	5
Rotatable Bond	27

Associated Targets(Human)

FOLH1 Tclin Glutamate carboxypeptidase 2 (1 Activities)

Discover Target: FOLH1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

FOLH1 Tclin Glutamate carboxypeptidase II (711 Activities)

Discover Target: FOLH1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	504772988
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504772988
IUPAC Name	(2S)-2-[[(1S)-1-carboxy-5-[[(2S)-3-naphthalen-2-yl-2-[[4-[[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]methyl]cyclohexanecarbonyl]amino]propanoyl]amino]pentyl]carbamoylamino]pentanedioic acid
INCHI	InChI=1S/C49H71N9O16/c59-40(28-55-17-19-56(29-42(62)63)21-23-58(31-44(66)67)24-22-57(20-18-55)30-43(64)65)51-27-32-8-12-35(13-9-32)45(68)52-39(26-33-10-11-34-5-1-2-6-36(34)25-33)46(69)50-16-4-3-7-37(47(70)71)53-49(74)54-38(48(72)73)14-15-41(60)61/h1-2,5-6,10-11,25,32,35,37-39H,3-4,7-9,12-24,26-31H2,(H,50,69)(H,51,59)(H,52,68)(H,60,61)(H,62,63)(H,64,65)(H,66,67)(H,70,71)(H,72,73)(H2,53,54,74)/t32?,35?,37-,38-,39-/m0/s1
InChIKey	JBHPLHATEXGMQR-VLOIPPKDSA-N
Smiles	C1CC(CCC1CNC(=O)CN2CCN(CCN(CCN(CC2)CC(=O)O)CC(=O)O)CC(=O)O)C(=O)NC(CC3=CC4=CC=CC=C4C=C3)C(=O)NCCCCC(C(=O)O)NC(=O)NC(CCC(=O)O)C(=O)O
Isomeric SMILES	C1CC(CCC1CNC(=O)CN2CCN(CCN(CCN(CC2)CC(=O)O)CC(=O)O)CC(=O)O)C(=O)N[C@@H](CC3=CC4=CC=CC=C4C=C3)C(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O
PubChem CID	122706786
Molecular Weight	1042.14

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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5 results found

Lot Number	Certificate Type	Date	Item
K2216518	Certificate of Analysis	Aug 16, 2022	V414106
K2216501	Certificate of Analysis	Aug 16, 2022	V414106
B23081168	Certificate of Analysis	Aug 16, 2022	V414106
K2216497	Certificate of Analysis	Aug 16, 2022	V414106
K2216517	Certificate of Analysis	Aug 16, 2022	V414106

Chemical and Physical Properties

Solubility	Solubility (25°C) In vitro Water: 100 mg/mL (95.95 mM);
DMSO(mg / mL) Max Solubility	-1
DMSO(mM) Max Solubility	-0.959563974130155
Water(mg / mL) Max Solubility	100
Water(mM) Max Solubility	95.9563974130155
Molecular Weight	1042.099 g/mol
XLogP3	-8.200
Hydrogen Bond Donor Count	11
Hydrogen Bond Acceptor Count	20
Rotatable Bond Count	27
Exact Mass	1041.5 Da
Monoisotopic Mass	1041.5 Da
Topological Polar Surface Area	365.000 Å²
Heavy Atom Count	74
Formal Charge	0
Complexity	1870.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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SKU	Size	Availability	Price
V414106-1mg	1mg	3	$207.90
V414106-2mg	2mg	3	$345.90
V414106-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$761.90
V414106-10mg	10mg	3	$1,236.90
V414106-25mg	25mg	2	$2,523.90
V414106-50mg	50mg	2	$4,305.90

Vipivotide tetraxetan (PSMA-617) - 98%, high purity , CAS No.1702967-37-0, Inhibitor of Folate hydrolase (prostate-specific membrane antigen) 1