Nitrocaphane | CAS#54940-95-3 | Antitumor/Chemotherapy

MedKoo Cat#: 525759 | Name: Nitrocaphane

Description:

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

Nitrocaphane, in combination with 5-FU (fluorouracil), chemotherapy is considered as a protocol of choice in the treatment of malignant trophoblastic tumor.

Chemical Structure

Nitrocaphane

CAS#54940-95-3

Theoretical Analysis

MedKoo Cat#: 525759

Name: Nitrocaphane

CAS#: 54940-95-3

Chemical Formula: C14H19Cl2N3O4

Exact Mass: 363.0753

Molecular Weight: 364.22

Elemental Analysis: C, 46.17; H, 5.26; Cl, 19.47; N, 11.54; O, 17.57

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.

Bulk Inquiry

Related CAS #

No Data

Synonym

AT-1258; AT1258; AT 1258; Nitrocaphane

IUPAC/Chemical Name

(S)-2-amino-3-(2-((bis(2-chloroethyl)amino)methyl)-5-nitrophenyl)propanoic acid

InChi Key

VEBTZMUIBMIPCD-ZDUSSCGKSA-N

InChi Code

InChI=1S/C14H19Cl2N3O4/c15-3-5-18(6-4-16)9-10-1-2-12(19(22)23)7-11(10)8-13(17)14(20)21/h1-2,7,13H,3-6,8-9,17H2,(H,20,21)/t13-/m0/s1

SMILES Code

N[C@@H](CC1=CC([N+]([O-])=O)=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, not in water

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

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 364.22 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.

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

1: Ju L, Wang Y, Qu D. [Combination chemotherapy of 5-fluorouracil and nitrocaphane for the treatment of malignant trophoblastic tumor]. Zhonghua Fu Chan Ke Za Zhi. 1996 Apr;31(4):212-5. Chinese. PubMed PMID: 8758775. 2: Li LG, Shen GL, Zhang H, Li DJ. Enhancement of nitrocaphane cytotoxicity by hyperthermia in vitro. Int J Hyperthermia. 1989 Jul-Aug;5(4):525-33. PubMed PMID: 2746055. 3: Shen GL. [Thermotolerant kinetics of HEp-2 cells and effect of thermotolerance on cytotoxicity of nitrocaphane]. Zhonghua Zhong Liu Za Zhi. 1989 Mar;11(2):89-91. Chinese. PubMed PMID: 2806049. 4: Li LG. [Cytotoxic effect of hyperthermia and nitrocaphane on malignant HEp-2 cells]. Zhonghua Zhong Liu Za Zhi. 1989 Jan;11(1):31-3. Chinese. PubMed PMID: 2776644. 5: Wang YE. [Combined treatment of malignant trophoblastic tumor with 5-fluorouracil and nitrocaphane]. Zhonghua Yi Xue Za Zhi. 1988 Dec;68(12):696-8. Chinese. PubMed PMID: 2854752. 6: Zhang TM, Shou MG, Wang MY. [Antitumor effects of different combinations of oridonin, bleomycin A5 and nitrocaphane]. Zhongguo Yao Li Xue Bao. 1986 Sep;7(5):457-60. Chinese. PubMed PMID: 2438898. 7: [Antitumor activity of nitrocaphane (AT-1258)]. Zhonghua Yi Xue Za Zhi. 1974;(11):693-6, 193. Chinese. PubMed PMID: 4215631.