DOX-TEG-TAM

ID: ALA222694

Chembl Id: CHEMBL222694

PubChem CID: 135442555

Max Phase: Preclinical

Molecular Formula: C67H74N4O18

Molecular Weight: 1223.34

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  CC/C(=C(/c1ccc(O)cc1)c1ccc(OCCN(C)CCOCCOCCO/N=C/c2ccc(O)c(C(=O)NCN[C@H]3C[C@H](O[C@H]4C[C@](O)(C(=O)CO)Cc5c(O)c6c(c(O)c54)C(=O)c4c(OC)cccc4C6=O)O[C@@H](C)[C@H]3O)c2)cc1)c1ccccc1

Standard InChI:  InChI=1S/C67H74N4O18/c1-5-46(41-10-7-6-8-11-41)56(42-15-19-44(73)20-16-42)43-17-21-45(22-18-43)86-27-25-71(3)24-26-84-28-29-85-30-31-87-70-36-40-14-23-51(74)48(32-40)66(81)69-38-68-50-33-55(88-39(2)61(50)76)89-53-35-67(82,54(75)37-72)34-49-58(53)65(80)60-59(63(49)78)62(77)47-12-9-13-52(83-4)57(47)64(60)79/h6-23,32,36,39,50,53,55,61,68,72-74,76,78,80,82H,5,24-31,33-35,37-38H2,1-4H3,(H,69,81)/b56-46+,70-36+/t39-,50-,53-,55-,61+,67-/m0/s1

Standard InChI Key:  ZONUJWGGPOQYBT-WIOUYFHVSA-N

Alternative Forms

1. Parent:

   

   ALA222694

   ---

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Small molecule

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 1223.34

Molecular Weight (Monoisotopic): 1222.4998

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References

1. Burke PJ, Kalet BT, Koch TH..  (2004)  Antiestrogen binding site and estrogen receptor mediate uptake and distribution of 4-hydroxytamoxifen-targeted doxorubicin-formaldehyde conjugate in breast cancer cells.,  47  (26): [PMID:15588086] [10.1021/jm049496b]

Source

Source(1):

• Scientific Literature