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Synopsis

Synopsis

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Chemistry

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Also known as: Otl-38, Otl 38, Otl 0038, Otl38, Otl0038, Otl-0038
Molecular Formula
C61H67N9O17S4
Molecular Weight
1326.5  g/mol
InChI Key
PDXNSXLPXJFETD-DYVQZXGMSA-N

Pafolacianine
Pafolacianine is a fluorescent imaging agent composed of a folate receptor-alpha (FRa)-targeting ligand conjugated to a fluorescent near infrared (NIR) dye, that can be used for imaging of FRa-expressing tumor cells. Upon administration, the FRa-targeting moiety of pafolacianine specifically binds to FRa expressed on tumor cells thus selectively delivering the fluorescent dye to FRa-expressing tumor cells. Upon NIR imaging, tumor cells fluoresce, which allows for the visualization and identification of FRa-overexpressing tumor cells. FRa, a high-affinity folate-binding protein and a member of the folate receptor family, is overexpressed in various cancer cell types.
1 2D Structure

Pafolacianine

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-[(E)-2-[(3E)-2-[4-[(2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-2-carboxyethyl]phenoxy]-3-[(2E)-2-[3,3-dimethyl-5-sulfo-1-(4-sulfobutyl)indol-2-ylidene]ethylidene]cyclohexen-1-yl]ethenyl]-3,3-dimethyl-1-(4-sulfobutyl)indol-1-ium-5-sulfonate
2.1.2 InChI
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)/t48-/m0/s1
2.1.3 InChI Key
PDXNSXLPXJFETD-DYVQZXGMSA-N
2.1.4 Canonical SMILES
CC1(C2=C(C=CC(=C2)S(=O)(=O)[O-])[N+](=C1C=CC3=C(C(=CC=C4C(C5=C(N4CCCCS(=O)(=O)O)C=CC(=C5)S(=O)(=O)O)(C)C)CCC3)OC6=CC=C(C=C6)CC(C(=O)O)NC(=O)C7=CC=C(C=C7)NCC8=CN=C9C(=N8)C(=O)NC(=N9)N)CCCCS(=O)(=O)O)C
2.1.5 Isomeric SMILES
CC1(C2=C(C=CC(=C2)S(=O)(=O)[O-])[N+](=C1/C=C/C3=C(/C(=C/C=C/4\C(C5=C(N4CCCCS(=O)(=O)O)C=CC(=C5)S(=O)(=O)O)(C)C)/CCC3)OC6=CC=C(C=C6)C[C@@H](C(=O)O)NC(=O)C7=CC=C(C=C7)NCC8=CN=C9C(=N8)C(=O)NC(=N9)N)CCCCS(=O)(=O)O)C
2.2 Synonyms
2.2.1 MeSH Synonyms

1. Cytalux

2. Otl-0038

3. Otl-38

4. Otl0038

5. Otl38

2.2.2 Depositor-Supplied Synonyms

1. Otl-38

2. Otl 38

3. Otl 0038

4. Otl38

5. Otl0038

6. Otl-0038

7. Pafolacianine [usan]

8. F7bd3z4x8l

9. 1628423-76-6

10. Unii-f7bd3z4x8l

11. Chembl4297412

12. Who 11569

13. Db15413

2.3 Create Date
2019-01-15
3 Chemical and Physical Properties
Molecular Weight 1326.5 g/mol
Molecular Formula C61H67N9O17S4
XLogP34
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count22
Rotatable Bond Count24
Exact Mass1325.35377640 g/mol
Monoisotopic Mass1325.35377640 g/mol
Topological Polar Surface Area441 Ų
Heavy Atom Count91
Formal Charge0
Complexity3330
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count3
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Drug and Medication Information
4.1 Drug Indication

Pafolacianine is an optical imaging agent indicated in adult patients with ovarian cancer as an adjunct for intraoperative identification of malignant lesions.


5 Pharmacology and Biochemistry
5.1 Pharmacology

Tumor to background ratios changed with different mass doses studied. High tumor to background ratio was observed with 0.025 mg/kg dose. Pafolacianine exposure-response relationships and the time course of pharmacodynamic responses are unknown.


5.2 MeSH Pharmacological Classification

Molecular Probes

A group of atoms or molecules attached to other molecules or cellular structures and used in studying the properties of these molecules and structures. Radioactive DNA or RNA sequences are used in MOLECULAR GENETICS to detect the presence of a complementary sequence by NUCLEIC ACID HYBRIDIZATION. (See all compounds classified as Molecular Probes.)


5.3 Absorption, Distribution and Excretion

Absorption

The mean Cmax of pafolacianine was 59.1 5.94 ng/mL and AUCinf was 63.6 12.6 ng x hr/mL.


Route of Elimination

Following a single intravenous infusion of radiolabeled pafolacianine sodium, approximately 35% of the dose was recovered in urine (19.1%) and in feces (15.8%) after approximately 3-5 weeks.


Volume of Distribution

The mean volume of distribution (Vz) is 17.1 5.99 L, indicating distribution into tissues. During intraoperative molecular imaging for surgically resectable pulmonary adenocarcinoma, pafolacianine accumulated in nearly 70% of squamous cell carcinomas.


Clearance

The mean plasma clearance is 28.6 4.97 L/hr.


5.4 Metabolism/Metabolites

The metabolism of pafolacianine is unknown; however, pafolacianine is not metabolized by cytochrome P450 (CYP) enzymes.


5.5 Biological Half-Life

The elimination half-life of pafolacianine is 0.44 0.23 hours.


5.6 Mechanism of Action

Pafolacianine is consists of folic acid linked by its -carboxyl and a short spacer to an indocyanine green-related near-infrared dye called SO456. It is used for intraoperative fluorescence for tumour identification and surgical resection. It targets the folate receptor alpha (FR), which is often overexpressed in various cancers including ovarian cancer. Pafolacianine binds to FR-expressing cancer cells with an affinity of ~1 nM and is internalized via receptor-mediated endocytosis to be concentrated in FR-positive cancer tissues. Pafolacianine absorbs light and in the near-infrared (NIR) region within a range of 760 nm to 785 nm with a peak absorption of 776 nm and, upon excitation, emits fluorescence within a range of 790 nm to 815 nm with a peak emission of 796 nm.


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ABOUT THIS PAGE

Looking for 1628423-76-6 / Pafolacianine API manufacturers, exporters & distributors?

Pafolacianine manufacturers, exporters & distributors 1

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PharmaCompass offers a list of Pafolacianine API manufacturers, exporters & distributors, which can be sorted by GMP, USDMF, JDMF, KDMF, CEP (COS), WC, Price,and more, enabling you to easily find the right Pafolacianine manufacturer or Pafolacianine supplier for your needs.

Send us enquiries for free, and we will assist you in establishing a direct connection with your preferred Pafolacianine manufacturer or Pafolacianine supplier.

PharmaCompass also assists you with knowing the Pafolacianine API Price utilized in the formulation of products. Pafolacianine API Price is not always fixed or binding as the Pafolacianine Price is obtained through a variety of data sources. The Pafolacianine Price can also vary due to multiple factors, including market conditions, regulatory modifications, or negotiated pricing deals.

API | Excipient name

Pafolacianine

Synonyms

Otl-38, Otl 38, Otl 0038, Otl38, Otl0038, Otl-0038

Cas Number

1628423-76-6

About Pafolacianine

Pafolacianine is a fluorescent imaging agent composed of a folate receptor-alpha (FRa)-targeting ligand conjugated to a fluorescent near infrared (NIR) dye, that can be used for imaging of FRa-expressing tumor cells. Upon administration, the FRa-targeting moiety of pafolacianine specifically binds to FRa expressed on tumor cells thus selectively delivering the fluorescent dye to FRa-expressing tumor cells. Upon NIR imaging, tumor cells fluoresce, which allows for the visualization and identification of FRa-overexpressing tumor cells. FRa, a high-affinity folate-binding protein and a member of the folate receptor family, is overexpressed in various cancer cell types.

Pafolacianine Manufacturers

A Pafolacianine manufacturer is defined as any person or entity involved in the manufacture, preparation, processing, compounding or propagation of Pafolacianine, including repackagers and relabelers. The FDA regulates Pafolacianine manufacturers to ensure that their products comply with relevant laws and regulations and are safe and effective to use. Pafolacianine API Manufacturers are required to adhere to Good Manufacturing Practices (GMP) to ensure that their products are consistently manufactured to meet established quality criteria.

Pafolacianine Suppliers

A Pafolacianine supplier is an individual or a company that provides Pafolacianine active pharmaceutical ingredient (API) or Pafolacianine finished formulations upon request. The Pafolacianine suppliers may include Pafolacianine API manufacturers, exporters, distributors and traders.

click here to find a list of Pafolacianine suppliers with USDMF, JDMF, KDMF, CEP, GMP, COA and API Price related information on PharmaCompass.

Pafolacianine NDC

National Drug Code is a comprehensive database maintained by the FDA that contains information on all drugs marketed in the US. This directory includes information about finished drug products, unfinished drug products, and compounded drug products, including those containing Pafolacianine as an active pharmaceutical ingredient (API).

Finished drug products

The FDA updates the NDC directory daily. The NDC numbers for Pafolacianine API and other APIs are published in this directory by the FDA.

Unfinished drugs

The NDC unfinished drugs database includes product listing information submitted for all unfinished drugs, such as active pharmaceutical ingredients (APIs), drugs intended for further processing and bulk drug substances for compounding.

Pharmaceutical companies that manufacture Pafolacianine as an active pharmaceutical ingredient (API) must furnish the FDA with an updated record of all drugs that they produce, prepare, propagate, compound, or process for commercial distribution in the US at their facilities.

Compounded drug products

The NDC directory also contains data on finished compounded human drug products that contain Pafolacianine and are produced by outsourcing facilities. While these outsourcing facilities are not mandated to assign a Pafolacianine NDC to their finished compounded human drug products, they may choose to do so.

click here to find a list of Pafolacianine suppliers with NDC on PharmaCompass.

Pafolacianine GMP

Pafolacianine Active pharmaceutical ingredient (API) is produced in GMP-certified manufacturing facility.

GMP stands for Good Manufacturing Practices, which is a system used in the pharmaceutical industry to make sure that goods are regularly produced and monitored in accordance with quality standards. The FDA’s current Good Manufacturing Practices requirements are referred to as cGMP or current GMP which indicates that the company follows the most recent GMP specifications. The World Health Organization (WHO) has its own set of GMP guidelines, called the WHO GMP. Different countries can also set their own guidelines for GMP like China (Chinese GMP) or the EU (EU GMP).

PharmaCompass offers a list of Pafolacianine GMP manufacturers, exporters & distributors, which can be sorted by USDMF, JDMF, KDMF, CEP (COS), WC, API price, and more, enabling you to easily find the right Pafolacianine GMP manufacturer or Pafolacianine GMP API supplier for your needs.

Pafolacianine CoA

A Pafolacianine CoA (Certificate of Analysis) is a formal document that attests to Pafolacianine's compliance with Pafolacianine specifications and serves as a tool for batch-level quality control.

Pafolacianine CoA mostly includes findings from lab analyses of a specific batch. For each Pafolacianine CoA document that a company creates, the USFDA specifies specific requirements, such as supplier information, material identification, transportation data, evidence of conformity and signature data.

Pafolacianine may be tested according to a variety of international standards, such as European Pharmacopoeia (Pafolacianine EP), Pafolacianine JP (Japanese Pharmacopeia) and the US Pharmacopoeia (Pafolacianine USP).

Inform the supplier about your product requirements, specifying if you need a product with particular monograph like EP (Ph. Eur.), USP, JP, BP, or any other quality. In addition, clarify whether you need hydrochloride (HCl), anhydricum, base, micronisatum or a specific level of purity. To find reputable suppliers, utilize the filters and select those certified by GMP, FDA, or any other certification as per your requirement.
For your convenience, we have listed synonyms and CAS numbers to help you find the best supplier. The use of synonyms and CAS numbers can be helpful in identifying potential suppliers, but it is crucial to note that they might not always indicate the exact same product. It is important to confirm the product details with the supplier before making a purchase to ensure that it meets your requirements.
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