10-炔丙基-10-脱氮氨基蝶呤

Description

10-Propargyl-10-deazaaminopterin · CAS 146464-95-1 · C23H23N7O5. UNII A8Q8I19Q20.

Identification

CAS Registry Number	146464-95-1
PubChem CID	148121
Molecular formula	C23H23N7O5
IUPAC name	(2S)-2-[[4-[1-(2,4-diaminopteridin-6-yl)pent-4-yn-2-yl]benzoyl]amino]pentanedioic acid
UNII (FDA)	A8Q8I19Q20

Computed Descriptors

Molecular Weight	477.5
XLogP3	-0.9
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	10
Exact Mass	477.17606686
Monoisotopic Mass	477.17606686
Topological Polar Surface Area	207
Heavy Atom Count	35
Formal Charge	0

Physical description & handling notes

• Off-white to yellow solid
• Practically insoluble in shloroform and ethanol
• Soluble in aqueous solutions at pH 6.5 or higher
• 3.25, 4.76, and 6.17
• pKa values are 3.25, 4.76, and 6.17
• FOLOTYN (pralatrexate) is available in sterile, single-use vials containing pralatrexate at a concentration of 20 mg/mL in the following presentations: 20 mg of pralatrexate in 1 mL solution in a vial (20 mg / 1 mL); 40 mg of pralatrexate in 2 mL solution in a vial (40 mg / 2 mL).

GHS Hazard Classification

Reported hazard statements	H301 (66.7%), H311 (16.7%), H315 (33.3%), H319 (16.7%), H331 (16.7%), H335 (16.7%), H340 (16.7%), H351 (16.7%)

Documented Uses

• Pralatrexate is indicated for the treatment of ... relapsed or refractory peripheral T-cell lymphoma (PTCL). /Included in US product label/
• Pralatrexate is indicated for the treatment of relapsed or refractory peripheral T-cell lymphoma.
• Pralatrexate is a parenterally administered folate antagonist and antineoplastic agent, used in the treatment of peripheral T cell lymphomas. Pralatrexate has been associated with a modest rate of serum enzyme elevations during therapy, but has not been convincingly linked to instances of acute, clinically apparent liver injury.
• Pralatrexate is approved to treat:
• • Peripheral T-cell lymphoma in patients whose disease is refractory (does not respond to treatment) or has recurred (come back).
• This use is approved under FDA’s Accelerated Approval Program. As a condition of approval, confirmatory trial(s) must show that pralatrexate provides a clinical benefit in these patients.Pralatrexate is also being studied in the treatment of other types of cancer.

Synonyms

Pralatrexate; 146464-95-1; Folotyn; 10-Propargyl-10-deazaaminopterin; pralatrexato; HSDB 7786; N-(4-(1-((2,4-Diamino-6-pteridinyl)methyl)-3-butynyl)benzoyl)-L-glutamic acid; pralatrexatum; DTXSID3048578; NSC-754230; CHEBI:71223; A8Q8I19Q20; (2S)-2-((4-((1RS)-1-((2,4-Diaminopteridin-6-yl)methyl)but-3-ynyl)benzoyl)amino)pentanedioic acid; (2S)-2-[[4-[1-(2,4-diaminopteridin-6-yl)pent-4-yn-2-yl]benzoyl]amino]pentanedioic acid; DTXCID3028504; N-{4-[1-(2,4-diaminopteridin-6-yl)pent-4-yn-2-yl]benzoyl}-L-glutamic acid

Frequently Asked Questions

What are the CAS number and molecular formula of 10-Propargyl-10-deazaaminopterin?

CAS 146464-95-1; molecular formula C23H23N7O5; molecular weight — g/mol.

What other names is 10-Propargyl-10-deazaaminopterin known by?

Pralatrexate, 146464-95-1, Folotyn, 10-Propargyl-10-deazaaminopterin, pralatrexato, HSDB 7786.

Is 10-Propargyl-10-deazaaminopterin classified as hazardous?

Hazard statements reported: H301, H311, H315, H319, H331.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.