Ocaphane

    WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 525772

CAS#: 3734-80-3

Description: Ocaphane is a strong antitumor agent used on a number of animal tumors such as Brown-Pearce carcinoma. In clinical trials, it was found to be effective in treating patients with malignant pleural effusion and cancer of the head and neck. However, it was fairly toxic to hemopoietic organs.


Chemical Structure

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Ocaphane
CAS# 3734-80-3

Theoretical Analysis

MedKoo Cat#: 525772
Name: Ocaphane
CAS#: 3734-80-3
Chemical Formula: C14H20Cl2N2O2
Exact Mass: 318.0902
Molecular Weight: 319.2268
Elemental Analysis: C, 52.67; H, 6.31; Cl, 22.21; N, 8.78; O, 10.02

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @medkoo.com or click below button.
Note: Price will be listed if it is available in the future.

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Synonym: AT581; AT 581; AT-581; Ocaphane

IUPAC/Chemical Name: (S)-2-amino-3-(2-((bis(2-chloroethyl)amino)methyl)phenyl)propanoic acid

InChi Key: IKQQYIXDSFFRTE-ZDUSSCGKSA-N

InChi Code: InChI=1S/C14H20Cl2N2O2/c15-5-7-18(8-6-16)10-12-4-2-1-3-11(12)9-13(17)14(19)20/h1-4,13H,5-10,17H2,(H,19,20)/t13-/m0/s1

SMILES Code: N[C@@H](CC1=CC=CC=C1CN(CCCl)CCCl)C(O)=O

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

Preparing Stock Solutions

The following data is based on the product molecular weight 319.2268 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

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1: Su-yin C, Hsiu-fang Y, Pin H. Absorption, distribution and excretion of C14-AT-581 in animals. Chin Med J (Engl). 1976 Nov;2(6):441-4. PubMed PMID: 828876.
2: Yang JL, Lu FL, Wang LJ, Xu B. [The therapeutic effect of O-[bis-(2-chloroethyl)-aminomethyl]-phenylalanine dihydrochloride (ocaphane, AT-581) on intracerebral growth of Brown-Pearce carcinoma in rabbits (author's transl)]. Yao Xue Xue Bao. 1981 Dec;16(12):881-5. Chinese. PubMed PMID: 7340381.
3: Yang JL, Hsu B. [Studies on the combined chemotherapy of o-[bis-(2-chloroethyl)-aminomethyl]-phenylalanine dihydrochloride (AT-581) and operation in the treatment of Brown-Pearce carcinoma in the rabbit]. Yao Xue Xue Bao. 1966 Feb;13(2):113-8. Chinese. PubMed PMID: 5952402.
4: YANG JL, HSU B. [THERAPEUTIC EFFECT OF AT-581 ON THE BROWN-PEARCE CARCINOMA IN RABBITS AND ITS INFLUENCE ON MITOSIS OF THE TUMOR CELLS]. Yao Xue Xue Bao. 1965 Apr;12:235-41. Chinese. PubMed PMID: 14321745.