Research chemical
CAS Number: 101043-37-2
Product details
For laboratory research and professional procurement workflows.
PubChem CID
445434
Exact Mass
994.548768
InChIKey
ZYZCGGRZINLQBL-GWRQVWKTSA-N
IUPAC Name
(5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
SMILES String
C[C@H]1[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC1=O)C(=O)O)C)C)CC(C)C)C(=O)O)C)CCCN=C(N)N)/C=C/C(=C/[C@H](C)[C@H](CC2=CC=CC=C2)OC)/C
Catalog navigation
Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.
Microcystin-lr is identified by CAS 101043-37-2, with molecular formula C49H74N10O12, molecular weight 995.2, InChIKey ZYZCGGRZINLQBL-GWRQVWKTSA-N.
ChEMBL contains qualifying experimental assay evidence associated with Serine/threonine-protein phosphatase PP1-gamma catalytic subunit, Serine-threonine protein phosphatase 2A regulatory subunit, Tyrosine-protein phosphatase non-receptor type 1, Serine/threonine-protein phosphatase 5. These records do not establish therapeutic efficacy or clinical use.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Density
1.29 g/cm³
pKa
1
XLogP
2.3
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
71
H-bond acceptors
22
H-bond donors
12
Rotatable bonds
15
Ring count
2
Aromatic rings
1
Topological polar surface area
343.14 Ų
Computed LogP
0.62
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
Structure family
n heterocycle ligand
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
Yes
Boronic acid motif
No
Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.
Structural features
Microcystin-lr (CAS 101043-37-2) is an English MolGraph catalog reference, molecular formula C49H74N10O12 and molecular weight 995. 20 g/mol.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page to review identity data, application tags, sourcing readiness, and RFQ context for heterocyclic building-block research, research chemical sourcing.
Documentation needs
Request supplier-issued SDS/COA before handling, storage, shipment, or procurement decisions. Public page content is for research catalog reference and does not replace supplier-issued safety documentation.
ChEMBL reports experimental activity evidence for: Serine/threonine-protein phosphatase PP1-gamma catalytic subunit (Homo sapiens) — 10 assays; Serine-threonine protein phosphatase 2A regulatory subunit (Gallus gallus) — 2 assays; Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens) — 2 assays; Serine/threonine-protein phosphatase 5 (Homo sapiens) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.
Serine/threonine-protein phosphatase PP1-gamma catalytic subunit
Homo sapiens · SINGLE PROTEIN · 10 qualifying assays · 1 documents · best pChEMBL 11
Experimental evidence source: ChEMBL
Serine-threonine protein phosphatase 2A regulatory subunit
Gallus gallus · SINGLE PROTEIN · 2 qualifying assays · 2 documents · best pChEMBL 10
Experimental evidence source: ChEMBL
Tyrosine-protein phosphatase non-receptor type 1
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 2 documents · best pChEMBL 10
Experimental evidence source: ChEMBL
Serine/threonine-protein phosphatase 5
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 2 documents · best pChEMBL 9
Experimental evidence source: ChEMBL
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.
Preliminary Safety Reference
For supplier-issued SDS or COA, submit a documentation request.
Safety Reference / SDS RequestSubmit the CAS number, quantity, purity requirement, and destination country for sourcing review.
Supplier Safety Data Sheet (SDS): By request
Purity and pack size confirmation: By request
Availability and lead time review: Confirmed by RFQ
Shipment documentation review: By request
For supplier-issued documentation by request, use the RFQ actions on this page.Review preliminary safety reference