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MedKoo Cat#: 558542 | Name: Atrimustine

Description:

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

Atrimustine is an antineoplastic drug that is used for the treatment of breast cancer and non-Hodgkin's lymphoma.

Chemical Structure

Atrimustine
Atrimustine
CAS#75219-46-4

Theoretical Analysis

MedKoo Cat#: 558542

Name: Atrimustine

CAS#: 75219-46-4

Chemical Formula: C41H47Cl2NO6

Exact Mass: 719.2800

Molecular Weight: 720.73

Elemental Analysis: C, 68.33; H, 6.57; Cl, 9.84; N, 1.94; O, 13.32

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.
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Related CAS #
No Data
Synonym
Atrimustine; Atrimustina; Atrimustinum; Bestrabucil;
IUPAC/Chemical Name
Estra-1,3,5(10)-triene-3,17-diol, (17-beta)-, 3-benzoate, 17-((4-(4-(bis(2-chloroethyl)amino)phenyl)-1-oxobutoxy)acetate)
InChi Key
IFJUINDAXYAPTO-UUBSBJJBSA-N
InChi Code
InChI=1S/C41H47Cl2NO6/c1-41-21-20-34-33-17-15-32(49-40(47)29-7-3-2-4-8-29)26-30(33)12-16-35(34)36(41)18-19-37(41)50-39(46)27-48-38(45)9-5-6-28-10-13-31(14-11-28)44(24-22-42)25-23-43/h2-4,7-8,10-11,13-15,17,26,34-37H,5-6,9,12,16,18-25,27H2,1H3/t34-,35-,36+,37+,41+/m1/s1
SMILES Code
C[C@@]12[C@@H](OC(COC(CCCC3=CC=C(N(CCCl)CCCl)C=C3)=O)=O)CC[C@@]1([H])[C@]4([H])CCC5=C(C=CC(OC(C6=CC=CC=C6)=O)=C5)[C@@]4([H])CC2
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
>3 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
2934.99.03.00
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 720.73 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
1: Ohsawa N, Yamazaki Z, Wagatsuma T, Isurugi K. [Bestrabacil: a possible target-oriented anticancer agent]. Gan To Kagaku Ryoho. 1984 Oct;11(10):2115-24. Japanese. PubMed PMID: 6548354. 2: Akaza H, Imada S, Tsukamoto S, Koiso K. Inhibitory effects of bestrabucil, a conjugate of chlorambucil and estradiol, on the production of androgen-induced growth factor(s) by Shionogi carcinoma 115 cells. Int J Urol. 1994 Mar;1(1):67-73. PubMed PMID: 7627841. 3: Ezaki K, Hirano M, Ohno R, Yamada K, Naito K, Hirota Y, Shirakawa S, Kimura K. A combination trial of human lymphoblastoid interferon and bestrabucil (KM2210) for adult T-cell leukemia-lymphoma. Cancer. 1991 Aug 15;68(4):695-8. PubMed PMID: 1855169. 4: Nasu Y, Saegusa M, Ochi J, Hara M, Akagi T, Obama T, Yoshimoto J, Matsumura Y, Ohmori H, Tsushima T, et al. [Clinical effects of bestrabucil (KM2210) in bladder cancer]. Gan To Kagaku Ryoho. 1987 Nov;14(11):3155-6. Japanese. PubMed PMID: 3674900. 5: Nasu Y, Saegusa M, Hara M, Ochi J, Akagi T, Obama T, Tsushima T, Yoshimoto J, Ozaki Y, Matsumura Y, et al. [A new anti-cancer agent, bestrabucil (KM 2210): I. Concentration in the serum and tissue in urogenital tumors]. Gan To Kagaku Ryoho. 1987 Apr;14(4):1116-21. Japanese. PubMed PMID: 3566306. 6: Naito K, Kubo K, Akao Y, Hiraiwa A, Naoe T, Yamada K. [Clinical trial of bestrabucil (KM 2210) in hematopoietic malignancies]. Gan No Rinsho. 1986 Sep;32(11):1443-50. Japanese. PubMed PMID: 2877106. 7: Nishikawa M, Uemura Y, Matsuoka N, Ohno T, Katayama N, Tomeoku M, Kobayashi T, Kita K, Tanaka H, Minami N, et al. [Clinical trial of bestrabucil (KM 2210) on hematopoietic malignancies]. Gan To Kagaku Ryoho. 1986 Jun;13(6):2155-9. Japanese. PubMed PMID: 3521494. 8: Nagura E, Ohno R, Yamada K, Akao Y, Naito K, Nishikawa M, Tanaka H, Shirakawa S, Ono Y, Ezaki K, et al. [Early phase II trial of bestrabucil in hematological malignancies]. Gan To Kagaku Ryoho. 1986 Jun;13(6):2216-22. Japanese. PubMed PMID: 3459398. 9: Tsujitani S, Baba H, Korenaga D, Haraguchi M, Hiramoto Y, Okamura T, Sugimachi K. [A case of carcinoma in the lower abdomen treated successfully with oral administration of bestrabucil]. Gan To Kagaku Ryoho. 1987 Oct;14(10):2960-3. Japanese. PubMed PMID: 3662547. 10: Ueda T, Sakai K, Morimoto K, Nakatani S. [Therapeutic results in recurrent breast cancer with the use of Bestrabucil (KM2210)]. Gan To Kagaku Ryoho. 1987 Dec;14(12):3285-9. Japanese. PubMed PMID: 3688892. 11: Hirano M, Shirakawa S. [Bestrabucil-induced complete remission in a case of follicular lymphoma, medium-sized cell type, stage IV (leukemic)]. Gan No Rinsho. 1986 Sep;32(11):1491-4. Japanese. PubMed PMID: 3534347. 12: Kamei H, Takenaka K, Goto T, Suga S, Fugiwara A, Nakao I, Agatsuma T, Fujita K, Isurugi K, Kubota T, et al. [Phase I study of bestrabucil (KM 2210)]. Gan To Kagaku Ryoho. 1986 Jun;13(6):2208-15. Japanese. PubMed PMID: 3755019. 13: Kubota T, Kawamura E, Suzuki T, Yamada T, Toyoda H, Miyagawa T, Kurokawa T. Antitumor activity and pharmacokinetics of estra-1,3,5 (10)-triene-3,17 beta-diol, 3-benzoate, 17-((4-(4-bis(2-chloroethyl)amino)phenyl)-1-oxobutoxy) acetate) (Bestrabucil) in human tumor xenografts serially transplanted into nude mice. Jpn J Clin Oncol. 1986 Dec;16(4):357-64. PubMed PMID: 3795532. 14: Morita K, Mizuno T, Tanaka I, Suzuki H, Tanaka I, Miwa H, Nishikawa M, Kita K, Shiku H. [Acute myelogenous leukemia (M4) occurring during chronic lymphocytic leukemia]. Rinsho Ketsueki. 1997 Nov;38(11):1212-7. Japanese. PubMed PMID: 9423340. 15: Tsurumi H, Tani K, Tsuruta T, Shirato R, Matsudaira T, Tojo A, Wada C, Uchida H, Ozawa K, Asano S. Adult T-cell leukemia developing during immunosuppressive treatment in a renal transplant recipient. Am J Hematol. 1992 Dec;41(4):292-4. PubMed PMID: 1288292. 16: Ohsawa N, Yamazaki Z. [Tumor-oriented anti-cancer agent with estrogen as a carrier]. Gan To Kagaku Ryoho. 1988 Apr;15(4 Pt 2-1):1065-71. Review. Japanese. PubMed PMID: 3291767. 17: Matsuoka H, Sugimachi K, Tomoda H, Saito T, Seo Y. Growth inhibitory effect of estrogen conjugated drugs against primary cultured breast cancer cells. Anticancer Res. 1995 Jul-Aug;15(4):1289-96. PubMed PMID: 7654011. 18: Okayasu T, Masuda T, Kawabata M, Imai T, Hashimoto M, Inoue K, Tanabe T. [A case of breast carcinoma with lung metastasis]. Gan No Rinsho. 1987 Jun;33(6):720-2. Japanese. PubMed PMID: 3599480. 19: Kodo H. Graft-versus-host disease. Nihon Ketsueki Gakkai Zasshi. 1987 Dec;50(8):1621-6. Review. PubMed PMID: 2833846. 20: Ohsawa N. [Clinical experiences in tumor-oriented anti-cancer drugs]. Nihon Naika Gakkai Zasshi. 1988 Mar;77(3):313-7. Japanese. PubMed PMID: 2841390.