Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C35H57N3O3 |
| Molecular Weight | 567.8454 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 10 / 10 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@@]4([H])C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)NCCCCNCC5=CC=CC=N5)[C@H](C)CCC(=O)OC
InChI
InChIKey=RVANDQULNPITCN-PTSOVGQSSA-N
InChI=1S/C35H57N3O3/c1-24(10-13-32(40)41-4)28-11-12-29-33-30(15-17-35(28,29)3)34(2)16-14-26(21-25(34)22-31(33)39)37-20-8-7-18-36-23-27-9-5-6-19-38-27/h5-6,9,19,24-26,28-31,33,36-37,39H,7-8,10-18,20-23H2,1-4H3/t24-,25-,26+,28-,29+,30+,31-,33+,34+,35-/m1/s1
| Molecular Formula | C35H57N3O3 |
| Molecular Weight | 567.8454 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 10 / 10 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 19:13:13 GMT 2023
by
admin
on
Sat Dec 16 19:13:13 GMT 2023
|
| Record UNII |
4EA2U2RX2G
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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Code | English | ||
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Systematic Name | English | ||
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Common Name | English |
| Classification Tree | Code System | Code | ||
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FDA ORPHAN DRUG |
876122
Created by
admin on Sat Dec 16 19:13:13 GMT 2023 , Edited by admin on Sat Dec 16 19:13:13 GMT 2023
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| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
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1471172-29-8
Created by
admin on Sat Dec 16 19:13:13 GMT 2023 , Edited by admin on Sat Dec 16 19:13:13 GMT 2023
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PRIMARY | |||
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4EA2U2RX2G
Created by
admin on Sat Dec 16 19:13:13 GMT 2023 , Edited by admin on Sat Dec 16 19:13:13 GMT 2023
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PRIMARY | |||
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155353086
Created by
admin on Sat Dec 16 19:13:13 GMT 2023 , Edited by admin on Sat Dec 16 19:13:13 GMT 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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TARGET -> INHIBITOR |
With no pre-incubation the IC50 value for PTP1B(1– 405)
was 600 nM, similar to that of MSI-1436; however, after a
30-min pre-incubation, the potency was improved to 100 nM. In contrast, there was no obvious time-dependent change in the
IC50 value for PTP1B(1–321), suggesting that the C terminus of PTP1B was required for the difference in behavior of the two
compounds. Activity is enhances in the presence of the cupric ion.
IC50
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SALT/SOLVATE -> PARENT |
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |
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