Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C86H147N27O23.6C2H4O2 |
| Molecular Weight | 2287.5662 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 15 / 15 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(O)=O.CC(O)=O.CC(O)=O.CC(O)=O.CC(O)=O.CC(O)=O.CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](N)CCCCN)C(C)C)C(N)=O
InChI
InChIKey=PVDGHDDWZLGXQN-NYZSUEBESA-N
InChI=1S/C86H147N27O23.6C2H4O2/c1-45(2)35-58(104-81(133)64(43-116)110-83(135)68(47(5)6)112-66(120)39-99-71(123)53(89)17-9-12-30-87)75(127)108-62(41-114)79(131)106-60(37-49-22-26-51(118)27-23-49)77(129)102-56(20-15-33-97-85(92)93)73(125)96-32-14-11-19-55(70(91)122)101-74(126)57(21-16-34-98-86(94)95)103-78(130)61(38-50-24-28-52(119)29-25-50)107-80(132)63(42-115)109-76(128)59(36-46(3)4)105-82(134)65(44-117)111-84(136)69(48(7)8)113-67(121)40-100-72(124)54(90)18-10-13-31-88;6*1-2(3)4/h22-29,45-48,53-65,68-69,114-119H,9-21,30-44,87-90H2,1-8H3,(H2,91,122)(H,96,125)(H,99,123)(H,100,124)(H,101,126)(H,102,129)(H,103,130)(H,104,133)(H,105,134)(H,106,131)(H,107,132)(H,108,127)(H,109,128)(H,110,135)(H,111,136)(H,112,120)(H,113,121)(H4,92,93,97)(H4,94,95,98);6*1H3,(H,3,4)/t53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,68-,69-;;;;;;/m0....../s1
| Molecular Formula | C86H147N27O23 |
| Molecular Weight | 1927.2545 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 15 / 15 |
| E/Z Centers | 9 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | C2H4O2 |
| Molecular Weight | 60.052 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
CTCE-9908 is an anticancer agent that inhibits CXCR4. The CXCR4 receptor is present on most human tumors cells, including lung, breast, prostate, colon, ovarian, bone, brain, and skin cancer, and a high level of the receptor is related to low survival rate. The peptide analog of CXCL12, CTCE-9908 was designed to block ligand binding to the CXCR4 receptor. CTCE-9908 has been shown to effectively inhibit primary tumor growth, and reduce metastases in several types of cancer. CTCE-9908 was shown to be well tolerated.
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 21:49:58 GMT 2023
by
admin
on
Fri Dec 15 21:49:58 GMT 2023
|
| Record UNII |
AQH30RK500
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
|
mn | English | ||
|
Common Name | English | ||
|
Common Name | English |
| Classification Tree | Code System | Code | ||
|---|---|---|---|---|
|
FDA ORPHAN DRUG |
703719
Created by
admin on Fri Dec 15 21:49:58 GMT 2023 , Edited by admin on Fri Dec 15 21:49:58 GMT 2023
|
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
|
AQH30RK500
Created by
admin on Fri Dec 15 21:49:58 GMT 2023 , Edited by admin on Fri Dec 15 21:49:58 GMT 2023
|
PRIMARY | |||
|
168429445
Created by
admin on Fri Dec 15 21:49:58 GMT 2023 , Edited by admin on Fri Dec 15 21:49:58 GMT 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
PARENT -> SALT/SOLVATE |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
|
ACTIVE MOIETY |
|