Products for Research Use Only
RegisterLogin

NMS-P528

CAT: 0931-T87723-02Size: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T87723-02Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1466546-45-1
Target
ADC Cytotoxin
Related Pathways
Antibody-drug Conjugate/ADC Related
Bioactivity
NMS-P528, a Duocarmycin derivative, serves as an ADC payload and is utilized in the synthesis of NMS-P945 [1].
Smiles
C(Cl)[C@H]1C2=C(N(C(=O)C3=CC=4C(N3)=CC=C(OCCN5CCCC5)C4)C1)C=C(O)C6=C2C(C)=CS6
Molecular Formula
C27H28ClN3O3S
Molecular Weight
510.05
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

[(8S)-8-(chloromethyl)-4-hydroxy-1-methyl-7,8-dihydrothieno[3,2-e]indol-6-yl]-[5-(2-pyrrolidin-1-ylethoxy)-1H-indol-2-yl]methanone
CAS Number1466546-45-1
PubChem CID89862689
IUPAC Name[(8S)-8-(chloromethyl)-4-hydroxy-1-methyl-7,8-dihydrothieno[3,2-e]indol-6-yl]-[5-(2-pyrrolidin-1-ylethoxy)-1H-indol-2-yl]methanone
Molecular FormulaC27H28ClN3O3S
Molecular Weight510.0
XLogP5.3
Topological Polar Surface Area97
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count35
Formal Charge0
Complexity770
SMILES
CC1=CSC2=C(C=C3C(=C12)[C@@H](CN3C(=O)C4=CC5=C(N4)C=CC(=C5)OCCN6CCCC6)CCl)O
InChI
InChI=1S/C27H28ClN3O3S/c1-16-15-35-26-23(32)12-22-25(24(16)26)18(13-28)14-31(22)27(33)21-11-17-10-19(4-5-20(17)29-21)34-9-8-30-6-2-3-7-30/h4-5,10-12,15,18,29,32H,2-3,6-9,13-14H2,1H3/t18-/m1/s1
InChIKey
DLGMWIQPGAEPPC-GOSISDBHSA-N
Chemical Structure
2D Structure
2D structure of [(8S)-8-(chloromethyl)-4-hydroxy-1-methyl-7,8-dihydrothieno[3,2-e]indol-6-yl]-[5-(2-pyrrolidin-1-ylethoxy)-1H-indol-2-yl]methanone
CAS: 1466546-45-1
CID: 89862689
Formula: C27H28ClN3O3S
MW: 510.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight510.0
XLogP35.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass509.1539906
Monoisotopic Mass509.1539906
Topological Polar Surface Area97 Ų
Heavy Atom Count35
Formal Charge0
Complexity770
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
T200149-01NMS-P626
T87899-01NMS-P945
T12237-01NMS-P715
T6609-01NMS-E973
T70754-01NMS-P953
T12236-01NMS-859
T16334-01NMS-P515
T1853-01NMS-873
T4472-01NMS-P118
T87026-01NMS-0963

Alternative Products

CatalogName
HY-156249NMS-P528
302602NMS (Neuromedin-S, NMS)
MBS130280-01NMS-1286937, NMS-P937
402647-01NMS
MBS6457695-01NMS (Neuromedin-S, NMS) (HRP)
MBS6457694-01NMS (Neuromedin-S, NMS) (FITC)
MBS6457691-01NMS (Neuromedin-S, NMS) (AP)
326078NMS (Neuromedin-S, NMS) discontinued
MBS6457693-01NMS (Neuromedin-S, NMS) (Biotin)
MBS6457701-01NMS (Neuromedin-S, NMS) (PE)

Popular Products