![CAS 1088715-84-7 Cyclo[Phe-Tyr-Lys(iPr)-D-Arg-2-Nal-Gly-D-Glu]-Lys(iPr)-NH2 molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1088715-84-7.gif)
CAS RN: 1088715-84-7
Cyclo[Phe-Tyr-Lys(iPr)-D-Arg-2-Nal-Gly-D-Glu]-Lys(iPr)-NH2
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251111 | 1mg / 5mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1088715-84-7
- Purity/Analytical Methods: >99.0%
1088715-84-7 / (2S,5R,8S,11R,14S,20R)-N-[(2S)-1-amino-1-oxo-6-(propan-2-ylamino)hexan-2-yl]-2-benzyl-11-[3-(diaminomethylideneamino)propyl]-5-[(4-hydroxyphenyl)methyl]-14-(naphthalen-2-ylmethyl)-3,6,9,12,15,18,23-heptaoxo-8-[4-(propan-2-ylamino)butyl]-1,4,7,10,13,16,19-heptazacyclotricosane-20-carboxamide
LY-2510924 | UNII-L53SQF2I6G | L53SQF2I6G
Basic Information
CAS
1088715-84-7
Multi CAS
Yes
Molecular Formula
C62H88N14O10
Molecular Weight
1189.400000
Exact Mass
1188.680785
SMILES
CC(C)NCCCC[C@H]1C(=O)N[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](CCC(=O)N[C@H](C(=O)N[C@@H](C(=O)N1)CC2=CC=C(C=C2)O)CC3=CC=CC=C3)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N)CC4=CC5=CC=CC=C5C=C4)CCCN=C(N)N
InChI
InChI=1S/C62H88N14O10/c1-38(2)66-30-12-10-19-46(55(63)80)72-59(84)49-28-29-53(78)71-51(34-40-15-6-5-7-16-40)60(85)76-52(35-41-23-26-45(77)27-24-41)61(86)74-47(20-11-13-31-67-39(3)4)57(82)73-48(21-14-32-68-62(64)65)58(83)75-50(56(81)69-37-54(79)70-49)36-42-22-25-43-17-8-9-18-44(43)33-42/h5-9,15-18,22-27,33,38-39,46-52,66-67,77H,10-14,19-21,28-32,34-37H2,1-4H3,(H2,63,80)(H,69,81)(H,70,79)(H,71,78)(H,72,84)(H,73,82)(H,74,86)(H,75,83)(H,76,85)(H4,64,65,68)/t46-,47-,48+,49+,50-,51-,52-/m0/s1
InChIKey
IJHWVENTEFSNBC-BCGYILBZSA-N
Synonyms
LY-2510924
UNII-L53SQF2I6G
L53SQF2I6G
LY2510924
(2S,5S,8S,11R,14S,20R)-N-[(2S)-1-amino-1-oxo-6-(propan-2-ylamino)hexan-2-yl]-2-benzyl-11-[3-(diaminomethylideneamino)propyl]-5-[(4-hydroxyphenyl)methyl]-14-(naphthalen-2-ylmethyl)-3,6,9,12,15,18,23-heptaoxo-8-[4-(propan-2-ylamino)butyl]-1,4,7,10,13,16,19-heptazacyclotricosane-20-carboxamide
Computed Properties
Structural Parameters
Heavy atom count
86
Aromatic heavy atom count
22
Fraction Csp3
0.48
Rotatable bonds
25
H-bond acceptors
13
H-bond donors
14
Molar refractivity
328.45
TPSA
384.58
LogP / Solubility
WLOGP
0.75
MLOGP
0.78
XLogP3
3
Consensus LogP
1.51
Log S (ESOL)
-6.23
Class (ESOL)
Insoluble
Log S (Ali)
-9.86
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.02
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-9.44
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10
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