Orders received during 11/25~11/29 will be shipped in 11/30/2020 due to Thanksgiving holiday.

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

MedKoo CAT#: 525759

CAS#: 54940-95-3

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

Price and Availability

Size Price Shipping out time Quantity
Inquire bulk and customized quantity

Pricing updated 2020-11-25. Prices are subject to change without notice.

Nitrocaphane is not in stock, but may be available through custom synthesis. For cost-effective reason, minimum 1 gram order is requested. The product will be characterized by NMR, HPLC and MS analysis. Purity (HPLC) is usually >98%. CoA, QC data, MSDS will be provided when product is successfully made. The estimated lead time is 2-3 months. Please send email to to inquire quote.

Chemical Structure


Theoretical Analysis

MedKoo Cat#: 525759
Name: Nitrocaphane
CAS#: 54940-95-3
Chemical Formula: C14H19Cl2N3O4
Exact Mass: 363.07526
Molecular Weight: 364.223
Elemental Analysis: C, 46.17; H, 5.26; Cl, 19.47; N, 11.54; O, 17.57

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 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

Technical Data

Solid powder

>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).

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:


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.