Pafolacianine
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MedKoo CAT#: 463874

CAS#: 1628423-76-6 (free acid)

Description: Pafolacianine, also known as OTL0038 and OTL-38, is a folate receptor-directing imaging agent. OTL0038 accumulated at sites of inflammation in animal models. OTL-0038 displays high affinity and specificity for FRs and was shown (i) to accumulate in vivo in tumor cells expressing FRs, and (ii) to be non-toxic in mice at clinical dose x 1000. OTL0038 has the ability to predict responses to multiple therapies in four murine models of inflammation. Pafolacianine was approved to identify ovarian cancer lesions.


Chemical Structure

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Pafolacianine
CAS# 1628423-76-6 (free acid)

Theoretical Analysis

MedKoo Cat#: 463874
Name: Pafolacianine
CAS#: 1628423-76-6 (free acid)
Chemical Formula: C61H67N9O17S4
Exact Mass: 1,325.35
Molecular Weight: 1,326.493
Elemental Analysis: C, 55.23; H, 5.09; N, 9.50; O, 20.50; S, 9.67

Price and Availability

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5mg USD 2650 2 Weeks
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Related CAS #: 1628858-03-6 (sodium)   1628423-76-6 (free acid),  

Synonym: Pafolacianine; OTL0038; OTL 0038; OTL-0038; OTL38; OTL-38; OTL 38; Cytalux;

IUPAC/Chemical Name: hydrogen (S)-2-(4-(((2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl)amino)benzamido)-3-(4-(((E)-2-((E)-2-(3,3-dimethyl-5-sulfonato-1-(4-sulfonatobutyl)-3H-indol-1-ium-2-yl)vinyl)-6-(2-((E)-3,3-dimethyl-5-sulfonato-1-(4-sulfonatobutyl)indolin-2-ylidene)ethylidene)cyclohex-1-en-1-yl)oxy)phenyl)propanoate

InChi Key: PDXNSXLPXJFETD-UHFFFAOYSA-N

InChi Code: InChI=1S/C61H67N9O17S4/c1-60(2)46-33-44(90(81,82)83)22-24-49(46)69(28-5-7-30-88(75,76)77)51(60)26-16-38-10-9-11-39(17-27-52-61(3,4)47-34-45(91(84,85)86)23-25-50(47)70(52)29-6-8-31-89(78,79)80)54(38)87-43-20-12-37(13-21-43)32-48(58(73)74)66-56(71)40-14-18-41(19-15-40)63-35-42-36-64-55-53(65-42)57(72)68-59(62)67-55/h12-27,33-34,36,48H,5-11,28-32,35H2,1-4H3,(H9-,62,63,64,66,67,68,71,72,73,74,75,76,77,78,79,80,81,82,83,84,85,86)

SMILES Code: NC(N1)=NC(N=CC(CNC2=CC=C(C(N[C@]([H])(C([O-])=O)CC3=CC=C(OC4=C(/C=C/C5=[N+](CCCCS(=O)([O-])=O)C6=C(C=C(S(=O)([O-])=O)C=C6)C5(C)C)CCC/C4=C\C=C7N(CCCCS(=O)([O-])=O)C(C=CC(S(=O)([O-])=O)=C8)=C8C\7(C)C)C=C3)=O)C=C2)=N9)=C9C1=O.[H+].[H+].[H+].[H+]

Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO

Shelf Life: >2 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

More Info:

Biological target:
In vitro activity:
In vivo activity:

Preparing Stock Solutions

The following data is based on the product molecular weight 1,326.49 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
Formulation protocol:
In vitro protocol:
In vivo protocol:

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1: Muynck LDAN, Gaarenstroom KN, Sier CFM, Duijvenvoorde MV, Bosse T, Mieog JSD, Kroon CD, Vahrmeijer AL, Peters ITA. Novel Molecular Targets for Tumor-Specific Imaging of Epithelial Ovarian Cancer Metastases. Cancers (Basel). 2020 Jun 12;12(6):1562. doi: 10.3390/cancers12061562. PMID: 32545676; PMCID: PMC7352913.

2: Boogerd LSF, Hoogstins CES, Gaarenstroom KN, de Kroon CD, Beltman JJ, Bosse T, Stelloo E, Vuyk J, Low PS, Burggraaf J, Vahrmeijer AL. Folate receptor-α targeted near-infrared fluorescence imaging in high-risk endometrial cancer patients: a tissue microarray and clinical feasibility study. Oncotarget. 2017 Dec 11;9(1):791-801. doi: 10.18632/oncotarget.23155. PMID: 29416655; PMCID: PMC5787511.

3: Bahler CD, Maniar V, Marley KN, Kheyfets SV, Shum CF, Sundaram CP. OTL-38-Guided Fluorescent Imaging in Renal Cell Cancer Robotic Partial Nephrectomy. J Endourol B Videourol. 2017 Feb 6;31(3):vid.2016.0068. doi: 10.1089/vid.2016.0068. PMID: 32292641; PMCID: PMC6964242.

4: Keating JJ, Runge JJ, Singhal S, Nims S, Venegas O, Durham AC, Swain G, Nie S, Low PS, Holt DE. Intraoperative near-infrared fluorescence imaging targeting folate receptors identifies lung cancer in a large-animal model. Cancer. 2017 May 15;123(6):1051-1060. doi: 10.1002/cncr.30419. Epub 2016 Nov 7. PMID: 28263385; PMCID: PMC5341137.


5: Winum JY. Synthesis and composition of amino acid linking groups conjugated to compounds used for the targeted imaging of tumors: a patent evaluation of US20160011199A1. Expert Opin Ther Pat. 2016 Nov;26(11):1223-1226. doi: 10.1080/13543776.2016.1241238. Epub 2016 Oct 4. PMID: 27685539.

6: Kelderhouse LE, Mahalingam S, Low PS. Predicting Response to Therapy for Autoimmune and Inflammatory Diseases Using a Folate Receptor-Targeted Near- Infrared Fluorescent Imaging Agent. Mol Imaging Biol. 2016 Apr;18(2):201-8. doi: 10.1007/s11307-015-0876-y. PMID: 26242480.